Table S1. UV-Vis spectra of 1-8 in methanol and acetonitrile (λ in nm, ε in M-1cm-1). S λmax, MeOH εmax# ε254# λmax, ACN εmax# ε254# 1 H 225.9 2.56*104 4.21*103 229.1 2.02*104 9.10*103 2 CH3 244.9 2.61*104 2.12*104 250.0 1.74*104 1.68*104 3 OCH2CH3 247.0 1.82*104 1.56*104 251.1 1.55*104 1.52*104 4 CF3 226.0 1.75*104 1.76*103 226.0 2.14*104 8.52*103 5 C(O)OCH3 236.0 1.83*104 6.68*103 238.0 2.60*104 6.68*103 6 CN 236.9 3.17*104 9.61*103 239.0 2.93*104 1.54*104 7 C(O)CH3 244.0 3.36*104 2.35*104 244.0 0.27*104 2.09*104 8 N(Me)2 304.0 2.03*104 1.37*104 311.1 1.70*103 1.95*104 # εmax is absorption coefficient at maximum absorption, ε 254 is absorption coefficient at λ = 254 nm.
Table S1. Statistical analysis of the differences between mean GH space values as determined by the orthopedic surgeon (GI) and the radiologist (GII) Difference between means -17.76 Max 288.9 t value -0.114 Degrees of freedom 1205 Significance (two-tailed) 0.910 Difference between standard deviations 5428.26 Paired t-test 95% confidence interval Min -324.4 Xxxxxx Xxxxxxxx signed-rank test Ranks N Mean Sum of ranks rank Negative ranks 626 604.66 378516.00 Positive ranks 580 602.25 349305.00 Ties 0 Total 1206 Z statistics -1.207 Asymptotic significance 0.227 (two-tailed) Table S2. Summary of the Xxxxx-Xxxxxx (B&A) analysis of the log-transformed data relating to the mean GH space values as determined by the orthopedic surgeon (GI) and the radiologist (GII) Bias and limits of agreement Values Antilog Antilog (%) Bias -0.001 0.9977 0.23 Standard deviation 0.0634 Limit of agreement - upper -0.1254 0.7492 33.5 Limit of agreement - lower 0.1232 1.3280 24.7 Inside the limits of agreement [n (%)] 1150 (95.4) Outside the limits of agreement [n (%)] 56 (4.6)
Table S1. CLL VH gene families and HCDR3 sequences CLL ID IGHV Gene IGHD Gene IGHJ Gene HCDR3 amino acid sequence Donor IGHV1-69*01 IGHD3-3*01 IGHJ4*02 ARVTVKYYDFWGYYFDY 1153 IGHV1-69*01 IGHD3-3*01 IGHJ4*02 DDSYYDFWSGWYY 1012 IGHV1-69*01 IGHD3-3*01 IGHJ6*03 ARVEIFGVVGLSYYYYYMDV 1640 IGHV1-69*01 IGHD3-3*01 IGHJ6*03 ARGAIFGVVIIPVTPFYMDV 859 IGHV3-09*01 IGHD3-3*01 IGHJ4*02 AKDASSNYDFWSGYYDY 1371 IGHV4-b*02 IGHD3-3*01 IGHJ4*02 ARVMEKYYDFWSGYYYFD 1324 IGHV1-69*01 IGHD3-10*01 IGHJ6*03 AREASYGSGSYYQQYYYYYYMDV 1333 IGHV1-69*01 IGHD3-10*01 IGHJ6*02 AVGVLWFGELLFSYYYYYGMD 352 IGHV1-69*05 IGHD3-3*01 IGHJ6*02 AGRLIFGVVITAGGDYGMDV 1301 IGHV4-31*03 IGHD3-3*01 IGHJ3*02 ARAPIGSTIFGVVIIRFAFDI 276 IGHV1-2*02 IGHD2-21*02 IGHJ4*02 ARTQIGDCGGDCYPFDY 336 IGHV1-3*01 IGHD6-19*01 IGHJ4*02 AREQWLVLSYFDY 606 IGHV1-2*04 IGHD3-10*01 IGHJ4*02 ARDLRYSYGSGSTPFLDS 758 IGHV1-18*01 IGHD3-16*01 IGHJ4*02 ARKSWVGAYYFDY 854 IGHV1-3*01 IGHD2-2*01 IGHJ4*02 VSHYCTSSTCDQMY 1222 IGHV1-2*02 IGHD6-19*01 IGHJ4*02 AREQWLASPNLDY 1271 IGHV4-34*02 IGHD6-6*01 IGHJ4*02 ARGRWSPKFVL 1299 IGHV3-23*01/IGHV3-23*02 IGHD2-2*01 IGHJ4*03 AKGLVIGLPDV 1330 IGHV3-7*03 IGHD2-8*01 IGHJ4*02 ARSSRDGTNDYDGEYRYFDY 1240 IGHV3-33*01/IGHV3-33*06 IGHD3-9*01 IGHJ2*01 ATRPQLNYDILTGYYIGGGYFDL 1294 IGHV3-21*01 IGHD7-27*01 IGHJ6*03 ARDPYRGLYGMFYFYYMDV 1317 IGHV4-59*01 IGHD2-21*02 IGHJ3*02 ARNPYCGGDCYSDAFDI 1319 IGHV4-31*03 IGHD2-2*02 IGHJ6*02 ARDLYGWTYCSSTSCYRYYGMDV 1326 IGHV3-53*04 IGHD5-12*01 IGHJ6*02 ARDRVDIVATTTYYYYYYGMDV 1344 IGHV1-69*02 IGHD2-21*02 IGHJ5*02 ARSTNLDYFFAAVTGNWFDP 1358 IGHV4-34*02 IGHD2-8*01 IGHJ6*02 TRAMDYYYGMDV 1397 IGHV1-69*06 IGHD3-22*01 IGHJ6*02 ATPPRGTYDSSGYYYGGLDNYYGMDV Table S1: CLL VH gene families and HCDR3 sequences. The IGHV, IGHD, and IGHJ genes and the HCDR3 amino acid sequences expressed in the leukemic cells of 26 CLL patients tested for VLR39 reactivity are shown. Shared VH gene family usage between CLL donor and other CLL patients are highlighted in yellow (IGHV), blue (IGHD), and green (IGHJ). CLL VH gene family determination and all sequences were provided by R. Catera and X. Xxxxxxxxx.
Table S1. Residues showing significant differences in 1H and 15N chemical shifts ($Dav>0.3) between V44M IGF-I and IGF-I plus F1 peptide (8), where $Dav=($DNH2 + 0.17$D 2)1/2 (66). Chemical shifts for these residues in long-[Arg3] IGF-I (10) and long-[Leu60] IGF-I (11) are also included. The residues implicated in F1 peptide binding actions (8) are shown in black and others shaded in gray. residue V44M IGF-I IGF-I plus F1 Long-[Arg3]IGF-I Long-[Leu60] IGF-I NH N NH N NH N NH N Cys 6 8.25 120.2 8.47 118.0 8.38 119.7 8.33 118.3 Gly7* ------- ------- 8.86 109.7 7.74 110.0 7.63 108.3# Ala8* 8.49 126.5 8.77 128.5 8.98 130.3 8.83 128.2 Glu9 7.61 114.5 7.80 115.5 8.00 118.1 7.94 115.1# Leu10* ------- ------- 6.74 119.9 6.88 121.7 6.87 120.3 Val11 7.59 115.7 7.18 118.1 7.29 119.3 7.38 117.9 Phe16 7.71 119.0 8.29 121.2 7.84 120.6 7.38 117.9# Phe25 7.93 117.3 8.53 116.9 8.48 119.6 7.86 120.3# Ile43 7.91 120.4 7.58 121.5 7.89 122.4 7.74 121.4 Phe49 7.45 115.9 7.70 116.1 7.72 117.3 7.89 113.7# Arg50 7.93 116.5 7.42 117.1 7.53 119.9 7.95 119.4 Ser51 7.90 112.9 7.75 110.7 7.83 113.3 7.81 112.9 Leu54 7.73 122.6 8.67 127.0 7.59 123.6 7.57 122.5# Arg55 7.80 118.0 8.22 117.5 7.86 119.9 7.92 119.4 Glu58* ------- ------- 7.40 112.5 8.09 114.8 8.15 113.7 Tyr60 7.76 115.8 7.81 117.5 7.98 117.0 7.76 117.9 Cys61* ------- ------- 7.09 7.26 116.9 7.22 115.3 * Gly7, Leu10, Glu58 and Cys61 are not found in any spectra of 15˚C, 20˚C and 37˚C in V44M IGF-I. + Ala8 has a very weak peak in 2D HSQC. # Chemical shifts show significant differences among the three published IGF-I data sets. Table S2. XXX intensities observed in Val44Met IGF-I compared with inter-proton distances for the mutated residue 44 in A) long-[Arg3] IGF-I (12) and B) IGF-I plus F1 peptide (8). Relative intensities (RI), calculated using the integrated intensity divided by the average noise in the 3D NOESY-HSQC spectrum, are designated S (strong, RI>3.5), M (medium, 3.5>RI>2.0) and W (weak, RI<2.0). HN-HN and HN-HA NOEs and corresponding distances are shaded in grey. Note that the relative strengths of the sequential NOEs to Met44 HN correspond more closely with the distances in the long-[Arg3] IGF-I structure. Several backbone-to-backbone NOEs expected from the long-[Arg3] IGF-I structure are not seen in spectra of Val44Met IGF-I as follows: HN of Asn26, Gly42, Glu46, Cys47, Cys48 to Met44 HN; HN of Leu10, Val11, Glu46, Cys47, Cys48 to Met44 HA. NOEs expected from the IGF-I+F1 structure but not seen in spectra of Val44Met IGF-I a...
Table S1. The Bowdle scales8
Table S1. Analytical (AEF) and surface (SEF) enhancement factors estimated at an R6G analyte concentration of 10-6 M and an excitation wavelength of 632.8 nm. REFERENCES for MATERIALS AND METHODS
Table S1. The Primers Used for qRT-PCR Name* Forward (5’-3’) Reverse (5’-3’) hALKBH5 ATCCTCAGGAAGACAAGATTAG TTCTCTTCCTTGTCCATCTC hCAV1 CGACCCTAAACACCTCCACGA TAAATGCCCCAGATGAGTGC hCCNB1 AATAAGGCGAAGATCAACATGGC TTTGTTACCAATGTCCCCAAGAG hCDK1 AAACTACAGGTCAAGTGGTAGCC TCCTGCATAAGCACATCCTGA hEGR1 CTCTCCAGCCTGCTCGTC AGCAGCATCATCTCCTCCAG hFOXO4 GCCTCGTTGTGAACCTTGATG ACTGACACTTGCCCAGATTTACG hGAPDH CCCACTGCCAACGTGTCA AAGTCAGAGGAGACCACCT rALKBH5 TTCGGCTGCAAGTTCCAGTT CAGCAGCATATCCACTGAGCA rBCL2 CGGGATGGGGTAAACTGG AGGTGGTCATTCGTGG rCASP9 GGTGGGGAGCAGAAAGACC AGCTGGTCGAAGGTCCTCAA rGAPDH GAAGGTGAAGGTCGGAGT CATTGACAACAATATCC rNANOG CCTATGCCTGTGATTTGTGGG AGGTTGTTTGCCTTTGGGAC rOCT4 GGAATGAGGGACAGGGGGAG ACTCCCCTGCCCCCACCCT rC-KIT ACACGTGCACCAACAAACAC CAAGGAGCGGTCAACAAGGA rGFRA1 GGGAGAAGCCCAACTGTTTG GACAGCTGCTGACAGACCTTGA rNANOS3 CCTGCACAGGTTTCAGAGGT TGGGAGTGGTCCTCATAGGG rPIWIL1 ATAACTGGCCAGGTGTCATTCGT AGGTAGTAAAGGCGGTTTGACA rPLZF AGCGGTTCCTGGATAGTTTGC TTCGAAAACTGTGCACCACACT rTNP1 AATTACCGCTCCCACTTGTGA TGATCCACATTCCATAGGCTCC rTNP2 GAGCTCAGGACGGAAATCCAA CCTGCAAGAAGATTGACTTCG rTOP2B GCACTGACCTGGGTGAACAA CCCACATGAACTGCGTCAAT rVASA GAAGCTGATCGCATGTTGGATA TGCAGCCAACCTTTGAATTTC CASP3 TCGCTTTGTGCCATGCTGAAAC TGTTGCCACCTTTCGGTTAACC SOX2 GCCGAGTGGAAACTTTTGTCG GGCAGCGTGTACTTATCCTTCT
