============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 4 1.000 13.983 9.695 -30.596 -99.200 -91.000 TYR 7 0.840 25.183 4.569 -32.889 -99.200 -91.000 PHE 30 1.000 -8.455 21.265 -23.899 -99.200 -91.000 HIS 81 0.900 -20.079 19.297 -32.207 -99.200 -91.000 PHE 82 1.000 -22.341 24.605 -28.313 -99.200 -91.000 TYR 86 0.840 -13.745 6.348 -27.386 -99.200 -91.000 TRP 97 1.040 -8.143 20.824 -17.467 -99.200 -91.000 TRP6 97 1.020 -5.816 20.607 -17.842 -99.200 -91.000 PHE 106 1.000 -20.165 28.747 -26.149 -99.200 -91.000 HIS 107 0.900 -25.344 29.472 -19.518 -99.200 -91.000 HIS 127 0.900 -10.998 17.269 -13.705 -99.200 -91.000 TYR 144 0.840 -19.421 11.207 -26.183 -99.200 -91.000 PHE 199 1.000 -5.363 32.608 -21.838 -99.200 -91.000 HIS 214 0.900 -8.823 31.203 0.465 -99.200 -91.000 HIS 228 0.900 -0.148 34.033 -20.600 -99.200 -91.000 PHE 240 1.000 16.551 19.349 -22.827 -99.200 -91.000 HIS 301 0.900 5.399 23.974 -7.450 -99.200 -91.000 PHE 304 1.000 11.747 14.797 -7.593 -99.200 -91.000 PHE 312 1.000 16.169 14.493 -9.738 -99.200 -91.000 PHE 330 1.000 -0.361 10.484 -12.161 -99.200 -91.000 PHE 334 1.000 8.173 3.349 -8.887 -99.200 -91.000 HIS 336 0.900 10.863 5.040 -14.483 -99.200 -91.000 HIS 357 0.900 24.094 -1.453 -5.209 -99.200 -91.000 TYR 395 0.840 3.116 5.838 -29.699 -99.200 -91.000 HIS 396 0.900 3.592 5.983 -25.683 -99.200 -91.000 TYR 401 0.840 10.148 15.250 -22.545 -99.200 -91.000 HIS 403 0.900 11.272 21.330 -32.737 -99.200 -91.000 PHE 418 1.000 15.782 2.975 -36.003 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2rl1A1 MET 1 HA -0.06 -0.11 0.26 -0.75 4.52 3.85 2rl1A1 MET 1 HB2 -0.04 0.02 0.09 -0.04 2.15 2.19 2rl1A1 MET 1 HB3 -0.05 -0.01 0.13 -0.04 2.03 2.06 2rl1A1 MET 1 HG2 -0.00 0.01 0.03 -0.04 2.63 2.63 2rl1A1 MET 1 HG3 -0.05 0.04 -0.15 -0.04 2.56 2.37 2rl1A1 MET 1 HE3 0.05 0.02 0.04 -0.04 2.10 2.17 2rl1A1 ASP 2 H -0.09 0.01 0.13 -0.55 8.40 7.90 2rl1A1 ASP 2 HA -0.23 0.32 0.65 -0.75 4.63 4.63 2rl1A1 ASP 2 HB2 -0.13 -0.17 0.10 -0.04 2.71 2.46 2rl1A1 ASP 2 HB3 -0.20 0.05 0.04 -0.04 2.70 2.54 2rl1A1 LYS 3 H -0.51 0.77 0.48 -0.55 8.42 8.60 2rl1A1 LYS 3 HA -0.31 0.04 0.93 -0.75 4.32 4.22 2rl1A1 LYS 3 HB2 -1.26 0.02 -0.10 -0.04 1.87 0.49 2rl1A1 LYS 3 HB3 -0.22 0.05 -0.04 -0.04 1.79 1.54 2rl1A1 LYS 3 HG2 -0.20 -0.20 -0.08 -0.04 1.46 0.94 2rl1A1 LYS 3 HG3 -0.40 0.18 -0.21 -0.04 1.46 0.99 2rl1A1 LYS 3 HD2 -0.21 0.12 -0.13 -0.04 1.69 1.43 2rl1A1 LYS 3 HD3 -0.04 -0.03 -0.14 -0.04 1.68 1.43 2rl1A1 LYS 3 HE2 -0.06 -0.12 -0.02 -0.04 2.99 2.75 2rl1A1 LYS 3 HE3 -0.08 0.03 -0.01 -0.04 2.99 2.89 2rl1A1 PHE 4 H 0.02 0.57 0.34 -0.55 8.34 8.72 2rl1A1 PHE 4 HA 0.10 0.24 1.03 -0.75 4.62 5.24 2rl1A1 PHE 4 HB2 0.01 -0.06 0.13 -0.04 3.15 3.19 2rl1A1 PHE 4 HB3 0.04 0.09 -0.12 -0.04 3.06 3.03 2rl1A1 PHE 4 HD2 0.02 0.08 -0.10 -0.04 7.28 7.25 2rl1A1 PHE 4 HE2 0.02 -0.03 -0.11 -0.04 7.38 7.21 2rl1A1 PHE 4 HZ 0.03 -0.09 -0.11 -0.04 7.32 7.11 2rl1A1 ARG 5 H 0.33 0.65 0.32 -0.55 8.46 9.21 2rl1A1 ARG 5 HA 0.07 0.25 0.99 -0.75 4.34 4.90 2rl1A1 ARG 5 HB2 -0.13 -0.04 -0.01 -0.04 1.90 1.69 2rl1A1 ARG 5 HB3 0.01 -0.05 0.19 -0.04 1.80 1.91 2rl1A1 ARG 5 HG2 -0.56 0.05 -0.22 -0.04 1.67 0.91 2rl1A1 ARG 5 HG3 -0.28 0.02 -0.03 -0.04 1.67 1.34 2rl1A1 ARG 5 HD2 -0.02 -0.02 -0.08 -0.04 3.22 3.05 2rl1A1 ARG 5 HD3 -0.08 0.00 -0.09 -0.04 3.22 3.01 2rl1A1 VAL 6 H -0.11 0.70 0.31 -0.55 8.24 8.59 2rl1A1 VAL 6 HA -0.07 0.35 1.17 -0.75 4.13 4.83 2rl1A1 VAL 6 HB -0.04 -0.18 -0.12 -0.04 2.12 1.73 2rl1A1 VAL 6 HG13 -0.02 0.02 -0.02 -0.04 0.97 0.91 2rl1A1 VAL 6 HG23 -0.02 0.09 -0.33 -0.04 0.95 0.64 2rl1A1 TYR 7 H 0.07 0.53 0.31 -0.55 8.29 8.65 2rl1A1 TYR 7 HA 0.00 0.16 1.16 -0.75 4.56 5.13 2rl1A1 TYR 7 HB2 -0.01 -0.01 0.14 -0.04 3.06 3.14 2rl1A1 TYR 7 HB3 -0.01 0.03 0.03 -0.04 2.98 2.99 2rl1A1 TYR 7 HD2 -0.01 0.02 -0.10 -0.04 7.15 7.02 2rl1A1 TYR 7 HE2 -0.02 -0.04 -0.10 -0.04 6.85 6.64 2rl1A1 GLY 8 H 0.22 -0.05 0.17 -0.55 8.43 8.23 2rl1A1 GLY 8 HA2 0.06 0.26 0.40 -0.51 4.01 4.22 2rl1A1 GLY 8 HA3 0.08 -0.26 0.40 -0.51 4.01 3.72 2rl1A1 GLN 9 H 0.03 -0.01 0.01 -0.55 8.47 7.96 2rl1A1 GLN 9 HA 0.02 0.08 0.32 -0.75 4.36 4.02 2rl1A1 GLN 9 HB2 0.01 -0.13 0.04 -0.04 2.15 2.03 2rl1A1 GLN 9 HB3 0.01 0.03 0.03 -0.04 2.02 2.05 2rl1A1 GLN 9 HG2 0.01 0.29 -0.12 -0.04 2.40 2.54 2rl1A1 GLN 9 HG3 0.02 -0.20 0.02 -0.04 2.39 2.19 2rl1A1 GLN 9 HE21 0.01 -0.07 0.03 -0.04 6.97 6.90 2rl1A1 GLN 9 HE22 0.01 0.14 0.05 -0.04 7.69 7.85 2rl1A1 SER 10 H 0.01 0.26 0.32 -0.55 8.46 8.50 2rl1A1 SER 10 HA 0.01 0.01 0.75 -0.75 4.49 4.50 2rl1A1 SER 10 HB2 0.01 -0.06 -0.05 -0.04 3.95 3.81 2rl1A1 SER 10 HB3 0.01 -0.04 -0.03 -0.04 3.93 3.83 2rl1A1 ARG 11 H 0.00 0.14 0.13 -0.55 8.46 8.19 2rl1A1 ARG 11 HA 0.00 0.26 0.73 -0.75 4.34 4.58 2rl1A1 ARG 11 HB2 0.00 0.01 0.07 -0.04 1.90 1.94 2rl1A1 ARG 11 HB3 0.00 -0.06 0.19 -0.04 1.80 1.89 2rl1A1 ARG 11 HG2 0.00 -0.11 -0.08 -0.04 1.67 1.44 2rl1A1 ARG 11 HG3 0.00 -0.05 -0.24 -0.04 1.67 1.35 2rl1A1 ARG 11 HD2 0.00 0.31 -0.15 -0.04 3.22 3.34 2rl1A1 ARG 11 HD3 0.00 -0.05 -0.02 -0.04 3.22 3.11 2rl1A1 LEU 12 H 0.00 0.20 0.07 -0.55 8.37 8.10 2rl1A1 LEU 12 HA 0.00 0.45 0.73 -0.75 4.35 4.78 2rl1A1 LEU 12 HB2 0.02 0.02 -0.06 -0.04 1.64 1.57 2rl1A1 LEU 12 HB3 0.02 -0.08 -0.10 -0.04 1.64 1.45 2rl1A1 LEU 12 HG 0.01 0.14 -0.12 -0.04 1.64 1.63 2rl1A1 LEU 12 HD13 0.01 0.00 -0.06 -0.04 0.93 0.85 2rl1A1 LEU 12 HD23 0.01 0.01 -0.29 -0.04 0.89 0.57 2rl1A1 SER 13 H -0.00 0.67 0.37 -0.55 8.46 8.95 2rl1A1 SER 13 HA -0.00 0.12 0.74 -0.75 4.49 4.60 2rl1A1 SER 13 HB2 -0.00 0.05 0.03 -0.04 3.95 3.99 2rl1A1 SER 13 HB3 -0.00 0.02 0.19 -0.04 3.93 4.10 2rl1A1 GLY 14 H -0.01 0.52 0.48 -0.55 8.43 8.88 2rl1A1 GLY 14 HA2 -0.02 -0.04 0.39 -0.51 4.01 3.84 2rl1A1 GLY 14 HA3 -0.03 0.34 1.06 -0.51 4.01 4.88 2rl1A1 SER 15 H -0.04 0.26 0.25 -0.55 8.46 8.38 2rl1A1 SER 15 HA -0.05 0.25 1.15 -0.75 4.49 5.08 2rl1A1 SER 15 HB2 -0.03 -0.03 0.02 -0.04 3.95 3.87 2rl1A1 SER 15 HB3 -0.04 0.00 0.11 -0.04 3.93 3.96 2rl1A1 VAL 16 H -0.09 0.61 0.39 -0.55 8.24 8.60 2rl1A1 VAL 16 HA -0.17 0.15 0.80 -0.75 4.13 4.15 2rl1A1 VAL 16 HB -0.41 0.15 -0.24 -0.04 2.12 1.58 2rl1A1 VAL 16 HG13 -0.27 -0.01 -0.13 -0.04 0.97 0.52 2rl1A1 VAL 16 HG23 -0.85 0.00 -0.09 -0.04 0.95 -0.03 2rl1A1 ASN 17 H -0.10 0.19 0.13 -0.55 8.53 8.20 2rl1A1 ASN 17 HA -0.02 0.09 0.93 -0.75 4.76 5.00 2rl1A1 ASN 17 HB2 -0.01 -0.03 0.09 -0.04 2.88 2.89 2rl1A1 ASN 17 HB3 0.00 0.09 -0.05 -0.04 2.79 2.79 2rl1A1 ASN 17 HD21 -0.02 0.03 -0.04 -0.04 7.03 6.95 2rl1A1 ASN 17 HD22 -0.02 -0.01 -0.01 -0.04 7.74 7.66 2rl1A1 ILE 18 H 0.02 0.67 0.27 -0.55 8.25 8.66 2rl1A1 ILE 18 HA 0.11 -0.02 0.61 -0.75 4.18 4.13 2rl1A1 ILE 18 HB 0.05 0.30 -0.00 -0.04 1.89 2.19 2rl1A1 ILE 18 HG12 0.09 -0.08 -0.14 -0.04 1.49 1.33 2rl1A1 ILE 18 HG13 0.18 -0.09 -0.15 -0.04 1.21 1.10 2rl1A1 ILE 18 HG23 0.07 -0.03 -0.10 -0.04 0.93 0.83 2rl1A1 ILE 18 HD13 0.06 -0.01 -0.24 -0.04 0.88 0.65 2rl1A1 SER 19 H 0.10 0.00 0.17 -0.55 8.46 8.18 2rl1A1 SER 19 HA 0.04 0.22 0.65 -0.75 4.49 4.64 2rl1A1 SER 19 HB2 0.04 -0.03 0.08 -0.04 3.95 4.00 2rl1A1 SER 19 HB3 0.08 0.05 0.04 -0.04 3.93 4.06 2rl1A1 GLY 20 H 0.02 0.22 0.11 -0.55 8.43 8.23 2rl1A1 GLY 20 HA2 0.01 0.14 0.31 -0.51 4.01 3.95 2rl1A1 GLY 20 HA3 0.00 0.32 0.35 -0.51 4.01 4.18 2rl1A1 ALA 21 H 0.00 0.92 0.10 -0.55 8.40 8.87 2rl1A1 ALA 21 HA -0.00 -0.09 0.46 -0.75 4.34 3.96 2rl1A1 ALA 21 HB3 -0.01 0.01 0.00 -0.04 1.41 1.38 2rl1A1 LYS 22 H -0.02 0.15 0.23 -0.55 8.42 8.23 2rl1A1 LYS 22 HA -0.01 0.18 0.44 -0.75 4.32 4.18 2rl1A1 LYS 22 HB2 -0.05 0.11 0.12 -0.04 1.87 2.01 2rl1A1 LYS 22 HB3 -0.04 -0.10 0.16 -0.04 1.79 1.77 2rl1A1 LYS 22 HG2 0.03 -0.05 -0.25 -0.04 1.46 1.14 2rl1A1 LYS 22 HG3 -0.00 0.02 0.00 -0.04 1.46 1.44 2rl1A1 LYS 22 HD2 -0.03 0.09 0.04 -0.04 1.69 1.75 2rl1A1 LYS 22 HD3 -0.09 0.06 0.08 -0.04 1.68 1.68 2rl1A1 LYS 22 HE2 -0.09 0.01 -0.03 -0.04 2.99 2.83 2rl1A1 LYS 22 HE3 -0.06 -0.09 -0.01 -0.04 2.99 2.79 2rl1A1 ASN 23 H 0.01 0.05 -0.12 -0.55 8.53 7.93 2rl1A1 ASN 23 HA 0.14 0.18 0.47 -0.75 4.76 4.80 2rl1A1 ASN 23 HB2 0.05 -0.05 0.05 -0.04 2.88 2.89 2rl1A1 ASN 23 HB3 0.15 0.04 0.14 -0.04 2.79 3.07 2rl1A1 ASN 23 HD21 0.04 0.02 -0.00 -0.04 7.03 7.05 2rl1A1 ASN 23 HD22 0.06 -0.03 0.02 -0.04 7.74 7.75 2rl1A1 ALA 24 H 0.00 0.28 -0.70 -0.55 8.40 7.44 2rl1A1 ALA 24 HA -0.06 0.18 0.78 -0.75 4.34 4.49 2rl1A1 ALA 24 HB3 -0.02 0.02 0.05 -0.04 1.41 1.42 2rl1A1 ALA 25 H -0.02 0.44 0.06 -0.55 8.40 8.34 2rl1A1 ALA 25 HA -0.10 0.09 0.37 -0.75 4.34 3.94 2rl1A1 ALA 25 HB3 -0.03 0.03 0.07 -0.04 1.41 1.43 2rl1A1 LEU 26 H 0.04 0.45 -0.05 -0.55 8.37 8.26 2rl1A1 LEU 26 HA 0.07 0.09 0.33 -0.75 4.35 4.08 2rl1A1 LEU 26 HB2 0.31 -0.05 0.03 -0.04 1.64 1.90 2rl1A1 LEU 26 HB3 0.54 -0.01 -0.12 -0.04 1.64 2.00 2rl1A1 LEU 26 HG 0.11 0.15 -0.01 -0.04 1.64 1.85 2rl1A1 LEU 26 HD13 0.19 -0.04 -0.09 -0.04 0.93 0.95 2rl1A1 LEU 26 HD23 0.11 -0.01 -0.18 -0.04 0.89 0.77 2rl1A1 PRO 27 HA -0.40 0.08 0.41 -0.51 4.44 4.01 2rl1A1 PRO 27 HB2 -0.68 0.08 -0.07 -0.04 2.28 1.57 2rl1A1 PRO 27 HB3 -1.99 -0.05 0.01 -0.04 2.02 -0.04 2rl1A1 PRO 27 HG2 -0.24 0.21 -0.03 -0.04 2.03 1.93 2rl1A1 PRO 27 HG3 -0.28 0.10 0.02 -0.04 2.03 1.83 2rl1A1 PRO 27 HD2 -0.01 -0.18 -0.74 -0.04 3.68 2.71 2rl1A1 PRO 27 HD3 0.12 0.03 -0.09 -0.04 3.65 3.66 2rl1A1 ILE 28 H -0.21 0.42 -0.45 -0.55 8.25 7.46 2rl1A1 ILE 28 HA -0.33 0.06 0.40 -0.75 4.18 3.55 2rl1A1 ILE 28 HB -0.34 0.05 0.09 -0.04 1.89 1.65 2rl1A1 ILE 28 HG12 -0.43 -0.01 -0.03 -0.04 1.49 0.98 2rl1A1 ILE 28 HG13 -0.25 0.05 0.01 -0.04 1.21 0.98 2rl1A1 ILE 28 HG23 -1.43 -0.00 -0.22 -0.04 0.93 -0.76 2rl1A1 ILE 28 HD13 -0.19 -0.05 -0.26 -0.04 0.88 0.33 2rl1A1 LEU 29 H -0.18 0.51 -0.21 -0.55 8.37 7.94 2rl1A1 LEU 29 HA -0.18 0.06 0.36 -0.75 4.35 3.83 2rl1A1 LEU 29 HB2 -0.25 0.09 0.12 -0.04 1.64 1.56 2rl1A1 LEU 29 HB3 -0.32 -0.02 -0.10 -0.04 1.64 1.16 2rl1A1 LEU 29 HG -0.16 0.04 -0.01 -0.04 1.64 1.47 2rl1A1 LEU 29 HD13 -0.11 -0.04 -0.12 -0.04 0.93 0.62 2rl1A1 LEU 29 HD23 -0.11 -0.00 -0.10 -0.04 0.89 0.64 2rl1A1 PHE 30 H 0.01 0.29 -0.28 -0.55 8.34 7.81 2rl1A1 PHE 30 HA 0.07 0.11 0.47 -0.75 4.62 4.51 2rl1A1 PHE 30 HB2 0.02 -0.01 0.03 -0.04 3.15 3.15 2rl1A1 PHE 30 HB3 0.13 0.15 -0.23 -0.04 3.06 3.07 2rl1A1 PHE 30 HD2 0.21 0.08 -0.15 -0.04 7.28 7.38 2rl1A1 PHE 30 HE2 0.15 -0.04 -0.12 -0.04 7.38 7.33 2rl1A1 PHE 30 HZ 0.08 -0.04 -0.08 -0.04 7.32 7.24 2rl1A1 ALA 31 H 0.02 0.45 -0.22 -0.55 8.40 8.11 2rl1A1 ALA 31 HA 0.08 0.05 0.37 -0.75 4.34 4.09 2rl1A1 ALA 31 HB3 0.07 0.01 0.06 -0.04 1.41 1.51 2rl1A1 ALA 32 H 0.07 0.25 -0.63 -0.55 8.40 7.55 2rl1A1 ALA 32 HA 0.22 0.02 0.31 -0.75 4.34 4.15 2rl1A1 ALA 32 HB3 0.08 0.07 0.01 -0.04 1.41 1.52 2rl1A1 ILE 33 H 0.12 0.40 -0.69 -0.55 8.25 7.53 2rl1A1 ILE 33 HA 0.13 0.01 0.35 -0.75 4.18 3.92 2rl1A1 ILE 33 HB 0.17 0.11 0.03 -0.04 1.89 2.16 2rl1A1 ILE 33 HG12 0.16 -0.03 0.03 -0.04 1.49 1.61 2rl1A1 ILE 33 HG13 0.13 -0.02 0.05 -0.04 1.21 1.33 2rl1A1 ILE 33 HG23 0.27 0.00 -0.14 -0.04 0.93 1.03 2rl1A1 ILE 33 HD13 0.29 -0.02 0.04 -0.04 0.88 1.15 2rl1A1 LEU 34 H 0.08 0.38 -0.55 -0.55 8.37 7.73 2rl1A1 LEU 34 HA -0.04 0.13 0.48 -0.75 4.35 4.17 2rl1A1 LEU 34 HB2 0.01 0.08 0.02 -0.04 1.64 1.70 2rl1A1 LEU 34 HB3 -0.03 -0.06 0.01 -0.04 1.64 1.52 2rl1A1 LEU 34 HG 0.05 -0.07 -0.01 -0.04 1.64 1.56 2rl1A1 LEU 34 HD13 0.00 -0.03 -0.02 -0.04 0.93 0.84 2rl1A1 LEU 34 HD23 -0.02 0.01 -0.06 -0.04 0.89 0.78 2rl1A1 ALA 35 H 0.05 0.35 -0.24 -0.55 8.40 8.01 2rl1A1 ALA 35 HA -0.03 0.08 0.44 -0.75 4.34 4.07 2rl1A1 ALA 35 HB3 0.02 0.00 0.12 -0.04 1.41 1.51 2rl1A1 THR 36 H -0.02 0.47 0.40 -0.55 8.28 8.58 2rl1A1 THR 36 HA 0.03 0.15 0.69 -0.75 4.39 4.50 2rl1A1 THR 36 HB 0.01 -0.11 0.19 -0.04 4.32 4.36 2rl1A1 THR 36 HG23 -0.03 0.05 0.10 -0.04 1.22 1.29 2rl1A1 GLU 37 H -0.00 0.53 -0.03 -0.55 8.60 8.55 2rl1A1 GLU 37 HA 0.01 0.13 0.78 -0.75 4.29 4.45 2rl1A1 GLU 37 HB2 -0.01 -0.09 -0.35 -0.04 2.09 1.60 2rl1A1 GLU 37 HB3 -0.00 -0.01 0.03 -0.04 1.99 1.97 2rl1A1 GLU 37 HG2 0.00 0.03 -0.02 -0.04 2.34 2.30 2rl1A1 GLU 37 HG3 -0.00 0.00 -0.56 -0.04 2.34 1.74 2rl1A1 PRO 38 HA 0.03 0.19 0.60 -0.51 4.44 4.74 2rl1A1 PRO 38 HB2 0.02 -0.03 0.02 -0.04 2.28 2.24 2rl1A1 PRO 38 HB3 0.02 0.01 0.08 -0.04 2.02 2.09 2rl1A1 PRO 38 HG2 0.01 0.01 0.07 -0.04 2.03 2.07 2rl1A1 PRO 38 HG3 0.02 0.03 0.09 -0.04 2.03 2.13 2rl1A1 PRO 38 HD2 0.01 0.08 0.16 -0.04 3.68 3.88 2rl1A1 PRO 38 HD3 0.01 0.16 0.22 -0.04 3.65 4.00 2rl1A1 VAL 39 H 0.04 0.55 0.47 -0.55 8.24 8.75 2rl1A1 VAL 39 HA 0.07 0.26 1.09 -0.75 4.13 4.80 2rl1A1 VAL 39 HB 0.09 -0.04 0.16 -0.04 2.12 2.29 2rl1A1 VAL 39 HG13 0.23 -0.02 -0.16 -0.04 0.97 0.97 2rl1A1 VAL 39 HG23 0.10 0.03 -0.02 -0.04 0.95 1.02 2rl1A1 LYS 40 H 0.10 0.64 0.44 -0.55 8.42 9.04 2rl1A1 LYS 40 HA 0.04 0.27 1.08 -0.75 4.32 4.96 2rl1A1 LYS 40 HB2 0.03 0.03 -0.07 -0.04 1.87 1.83 2rl1A1 LYS 40 HB3 0.05 -0.06 0.19 -0.04 1.79 1.92 2rl1A1 LYS 40 HG2 0.03 -0.06 -0.30 -0.04 1.46 1.09 2rl1A1 LYS 40 HG3 0.02 0.01 -0.09 -0.04 1.46 1.37 2rl1A1 LYS 40 HD2 0.02 0.03 -0.07 -0.04 1.69 1.63 2rl1A1 LYS 40 HD3 0.02 -0.01 -0.07 -0.04 1.68 1.59 2rl1A1 LYS 40 HE2 0.01 -0.04 -0.12 -0.04 2.99 2.81 2rl1A1 LYS 40 HE3 0.01 -0.04 -0.09 -0.04 2.99 2.83 2rl1A1 LEU 41 H 0.03 0.74 0.32 -0.55 8.37 8.91 2rl1A1 LEU 41 HA 0.07 0.32 1.14 -0.75 4.35 5.12 2rl1A1 LEU 41 HB2 -0.01 -0.07 0.16 -0.04 1.64 1.67 2rl1A1 LEU 41 HB3 -0.01 -0.01 0.04 -0.04 1.64 1.61 2rl1A1 LEU 41 HG 0.02 0.03 -0.18 -0.04 1.64 1.47 2rl1A1 LEU 41 HD13 -0.14 -0.01 -0.13 -0.04 0.93 0.62 2rl1A1 LEU 41 HD23 -0.04 0.02 -0.17 -0.04 0.89 0.66 2rl1A1 THR 42 H 0.01 0.72 0.44 -0.55 8.28 8.90 2rl1A1 THR 42 HA 0.00 0.16 0.98 -0.75 4.39 4.78 2rl1A1 THR 42 HB -0.01 -0.03 0.09 -0.04 4.32 4.33 2rl1A1 THR 42 HG23 0.01 0.01 -0.16 -0.04 1.22 1.03 2rl1A1 ASN 43 H 0.00 0.21 0.12 -0.55 8.53 8.31 2rl1A1 ASN 43 HA 0.01 0.07 0.29 -0.75 4.76 4.37 2rl1A1 ASN 43 HB2 -0.02 -0.02 -0.14 -0.04 2.88 2.66 2rl1A1 ASN 43 HB3 -0.02 0.08 0.19 -0.04 2.79 2.99 2rl1A1 ASN 43 HD21 0.00 0.01 -0.26 -0.04 7.03 6.75 2rl1A1 ASN 43 HD22 -0.02 0.54 -0.04 -0.04 7.74 8.18 2rl1A1 VAL 44 H 0.00 0.13 -0.30 -0.55 8.24 7.52 2rl1A1 VAL 44 HA -0.01 0.08 0.59 -0.75 4.13 4.04 2rl1A1 VAL 44 HB -0.01 0.06 0.05 -0.04 2.12 2.18 2rl1A1 VAL 44 HG13 -0.02 0.04 -0.12 -0.04 0.97 0.82 2rl1A1 VAL 44 HG23 -0.02 -0.01 -0.21 -0.04 0.95 0.66 2rl1A1 PRO 45 HA 0.02 0.05 0.36 -0.51 4.44 4.35 2rl1A1 PRO 45 HB2 -0.01 -0.04 -0.11 -0.04 2.28 2.07 2rl1A1 PRO 45 HB3 0.02 0.03 0.07 -0.04 2.02 2.10 2rl1A1 PRO 45 HG2 -0.01 -0.04 -0.03 -0.04 2.03 1.90 2rl1A1 PRO 45 HG3 -0.01 -0.01 -0.06 -0.04 2.03 1.91 2rl1A1 PRO 45 HD2 -0.01 0.03 0.11 -0.04 3.68 3.78 2rl1A1 PRO 45 HD3 0.00 0.24 0.14 -0.04 3.65 3.99 2rl1A1 GLU 46 H -0.04 0.12 0.08 -0.55 8.60 8.22 2rl1A1 GLU 46 HA -0.02 0.20 0.84 -0.75 4.29 4.55 2rl1A1 GLU 46 HB2 -0.13 -0.07 0.22 -0.04 2.09 2.07 2rl1A1 GLU 46 HB3 -0.04 0.01 0.09 -0.04 1.99 2.01 2rl1A1 GLU 46 HG2 0.03 0.06 -0.02 -0.04 2.34 2.37 2rl1A1 GLU 46 HG3 0.04 0.05 -0.09 -0.04 2.34 2.31 2rl1A1 LEU 47 H -0.03 0.36 0.06 -0.55 8.37 8.21 2rl1A1 LEU 47 HA -0.03 0.19 0.65 -0.75 4.35 4.41 2rl1A1 LEU 47 HB2 -0.01 0.13 -0.09 -0.04 1.64 1.63 2rl1A1 LEU 47 HB3 -0.02 0.07 -0.38 -0.04 1.64 1.26 2rl1A1 LEU 47 HG -0.03 -0.05 -0.45 -0.04 1.64 1.07 2rl1A1 LEU 47 HD13 -0.02 0.01 -0.10 -0.04 0.93 0.78 2rl1A1 LEU 47 HD23 -0.05 -0.03 -0.34 -0.04 0.89 0.43 2rl1A1 LYS 48 H 0.00 0.53 0.20 -0.55 8.42 8.60 2rl1A1 LYS 48 HA 0.00 0.05 0.33 -0.75 4.32 3.94 2rl1A1 LYS 48 HB2 0.02 0.08 0.00 -0.04 1.87 1.93 2rl1A1 LYS 48 HB3 0.02 -0.01 0.03 -0.04 1.79 1.78 2rl1A1 LYS 48 HG2 0.00 -0.06 0.05 -0.04 1.46 1.41 2rl1A1 LYS 48 HG3 0.00 0.04 0.01 -0.04 1.46 1.47 2rl1A1 LYS 48 HD2 0.03 0.02 -0.04 -0.04 1.69 1.66 2rl1A1 LYS 48 HD3 0.01 -0.00 -0.08 -0.04 1.68 1.56 2rl1A1 LYS 48 HE2 -0.04 0.00 -0.02 -0.04 2.99 2.90 2rl1A1 LYS 48 HE3 -0.03 0.04 -0.02 -0.04 2.99 2.93 2rl1A1 ASP 49 H 0.01 0.29 -0.05 -0.55 8.40 8.10 2rl1A1 ASP 49 HA 0.03 0.05 0.39 -0.75 4.63 4.35 2rl1A1 ASP 49 HB2 0.01 0.12 0.12 -0.04 2.71 2.91 2rl1A1 ASP 49 HB3 0.04 -0.01 -0.04 -0.04 2.70 2.65 2rl1A1 ILE 50 H -0.00 0.31 -0.24 -0.55 8.25 7.76 2rl1A1 ILE 50 HA -0.01 0.05 0.42 -0.75 4.18 3.89 2rl1A1 ILE 50 HB -0.01 0.07 0.14 -0.04 1.89 2.04 2rl1A1 ILE 50 HG12 -0.01 -0.14 -0.00 -0.04 1.49 1.30 2rl1A1 ILE 50 HG13 -0.02 0.35 0.01 -0.04 1.21 1.51 2rl1A1 ILE 50 HG23 -0.03 0.02 -0.13 -0.04 0.93 0.75 2rl1A1 ILE 50 HD13 -0.02 -0.02 -0.09 -0.04 0.88 0.72 2rl1A1 GLU 51 H -0.01 0.26 -0.08 -0.55 8.60 8.23 2rl1A1 GLU 51 HA -0.01 0.06 0.40 -0.75 4.29 3.99 2rl1A1 GLU 51 HB2 -0.00 0.07 0.15 -0.04 2.09 2.27 2rl1A1 GLU 51 HB3 -0.01 0.02 -0.00 -0.04 1.99 1.96 2rl1A1 GLU 51 HG2 -0.01 -0.00 -0.05 -0.04 2.34 2.24 2rl1A1 GLU 51 HG3 -0.00 0.01 -0.03 -0.04 2.34 2.27 2rl1A1 THR 52 H 0.01 0.54 -0.14 -0.55 8.28 8.14 2rl1A1 THR 52 HA 0.01 0.05 0.39 -0.75 4.39 4.09 2rl1A1 THR 52 HB 0.04 0.05 0.06 -0.04 4.32 4.43 2rl1A1 THR 52 HG23 0.03 -0.01 -0.11 -0.04 1.22 1.09 2rl1A1 THR 53 H 0.01 0.42 -0.25 -0.55 8.28 7.91 2rl1A1 THR 53 HA 0.03 0.00 0.38 -0.75 4.39 4.05 2rl1A1 THR 53 HB -0.10 0.15 0.13 -0.04 4.32 4.46 2rl1A1 THR 53 HG23 -0.69 -0.00 -0.13 -0.04 1.22 0.35 2rl1A1 LEU 54 H -0.04 0.52 -0.16 -0.55 8.37 8.14 2rl1A1 LEU 54 HA -0.07 0.04 0.37 -0.75 4.35 3.94 2rl1A1 LEU 54 HB2 -0.03 0.06 0.16 -0.04 1.64 1.79 2rl1A1 LEU 54 HB3 -0.02 0.03 -0.02 -0.04 1.64 1.58 2rl1A1 LEU 54 HG -0.04 0.02 -0.09 -0.04 1.64 1.49 2rl1A1 LEU 54 HD13 -0.07 0.03 -0.09 -0.04 0.93 0.76 2rl1A1 LEU 54 HD23 -0.02 -0.01 -0.11 -0.04 0.89 0.70 2rl1A1 LYS 55 H -0.01 0.43 -0.25 -0.55 8.42 8.03 2rl1A1 LYS 55 HA -0.00 0.04 0.41 -0.75 4.32 4.01 2rl1A1 LYS 55 HB2 0.01 0.12 0.13 -0.04 1.87 2.10 2rl1A1 LYS 55 HB3 0.01 -0.05 0.02 -0.04 1.79 1.72 2rl1A1 LYS 55 HG2 -0.00 -0.03 0.03 -0.04 1.46 1.41 2rl1A1 LYS 55 HG3 -0.00 0.31 0.07 -0.04 1.46 1.80 2rl1A1 LYS 55 HD2 -0.00 -0.02 -0.01 -0.04 1.69 1.62 2rl1A1 LYS 55 HD3 -0.00 -0.01 -0.01 -0.04 1.68 1.61 2rl1A1 LYS 55 HE2 -0.01 -0.06 -0.15 -0.04 2.99 2.73 2rl1A1 LYS 55 HE3 -0.01 -0.03 -0.04 -0.04 2.99 2.87 2rl1A1 ILE 56 H 0.03 0.43 -0.19 -0.55 8.25 7.96 2rl1A1 ILE 56 HA 0.07 0.01 0.47 -0.75 4.18 3.97 2rl1A1 ILE 56 HB 0.12 0.11 0.15 -0.04 1.89 2.24 2rl1A1 ILE 56 HG12 0.09 -0.09 -0.01 -0.04 1.49 1.44 2rl1A1 ILE 56 HG13 0.08 0.20 0.06 -0.04 1.21 1.51 2rl1A1 ILE 56 HG23 0.22 -0.01 -0.10 -0.04 0.93 1.00 2rl1A1 ILE 56 HD13 0.19 -0.03 -0.11 -0.04 0.88 0.88 2rl1A1 LEU 57 H -0.02 0.61 -0.08 -0.55 8.37 8.33 2rl1A1 LEU 57 HA 0.03 0.04 0.38 -0.75 4.35 4.04 2rl1A1 LEU 57 HB2 -0.07 0.09 0.15 -0.04 1.64 1.76 2rl1A1 LEU 57 HB3 -0.03 0.01 -0.09 -0.04 1.64 1.48 2rl1A1 LEU 57 HG -0.03 0.01 -0.08 -0.04 1.64 1.50 2rl1A1 LEU 57 HD13 -0.12 0.01 -0.08 -0.04 0.93 0.71 2rl1A1 LEU 57 HD23 -0.16 0.02 -0.17 -0.04 0.89 0.54 2rl1A1 ARG 58 H -0.01 0.65 -0.09 -0.55 8.46 8.46 2rl1A1 ARG 58 HA -0.01 0.36 0.52 -0.75 4.34 4.46 2rl1A1 ARG 58 HB2 -0.01 0.02 0.16 -0.04 1.90 2.04 2rl1A1 ARG 58 HB3 -0.01 -0.07 0.08 -0.04 1.80 1.76 2rl1A1 ARG 58 HG2 -0.01 0.00 0.13 -0.04 1.67 1.75 2rl1A1 ARG 58 HG3 -0.01 0.30 0.12 -0.04 1.67 2.03 2rl1A1 ARG 58 HD2 -0.01 -0.07 0.02 -0.04 3.22 3.12 2rl1A1 ARG 58 HD3 -0.01 -0.04 0.07 -0.04 3.22 3.20 2rl1A1 GLN 59 H 0.02 0.42 -0.24 -0.55 8.47 8.11 2rl1A1 GLN 59 HA -0.03 0.05 0.52 -0.75 4.36 4.15 2rl1A1 GLN 59 HB2 0.00 -0.08 0.21 -0.04 2.15 2.24 2rl1A1 GLN 59 HB3 0.00 -0.06 0.14 -0.04 2.02 2.07 2rl1A1 GLN 59 HG2 0.05 -0.15 0.11 -0.04 2.40 2.38 2rl1A1 GLN 59 HG3 0.06 0.38 0.20 -0.04 2.39 2.98 2rl1A1 GLN 59 HE21 0.14 0.49 0.31 -0.04 6.97 7.87 2rl1A1 GLN 59 HE22 0.11 0.19 0.09 -0.04 7.69 8.03 2rl1A1 LEU 60 H 0.01 0.38 -0.61 -0.55 8.37 7.61 2rl1A1 LEU 60 HA 0.00 0.08 0.84 -0.75 4.35 4.52 2rl1A1 LEU 60 HB2 0.01 0.14 0.18 -0.04 1.64 1.94 2rl1A1 LEU 60 HB3 -0.05 0.03 0.18 -0.04 1.64 1.76 2rl1A1 LEU 60 HG 0.08 0.21 -0.03 -0.04 1.64 1.86 2rl1A1 LEU 60 HD13 0.12 -0.03 -0.02 -0.04 0.93 0.96 2rl1A1 LEU 60 HD23 0.02 0.01 -0.17 -0.04 0.89 0.70 2rl1A1 GLY 61 H -0.03 0.42 -0.01 -0.55 8.43 8.27 2rl1A1 GLY 61 HA2 -0.05 0.01 0.33 -0.51 4.01 3.78 2rl1A1 GLY 61 HA3 -0.08 0.10 1.00 -0.51 4.01 4.53 2rl1A1 VAL 62 H -0.01 0.24 0.08 -0.55 8.24 7.99 2rl1A1 VAL 62 HA 0.02 0.16 0.59 -0.75 4.13 4.13 2rl1A1 VAL 62 HB 0.00 -0.03 -0.21 -0.04 2.12 1.84 2rl1A1 VAL 62 HG13 0.01 -0.03 -0.46 -0.04 0.97 0.45 2rl1A1 VAL 62 HG23 0.04 0.00 -0.05 -0.04 0.95 0.90 2rl1A1 VAL 63 H 0.01 0.66 0.32 -0.55 8.24 8.67 2rl1A1 VAL 63 HA -0.00 0.12 0.80 -0.75 4.13 4.29 2rl1A1 VAL 63 HB 0.01 -0.05 0.24 -0.04 2.12 2.27 2rl1A1 VAL 63 HG13 0.00 -0.02 -0.07 -0.04 0.97 0.84 2rl1A1 VAL 63 HG23 -0.00 0.04 -0.00 -0.04 0.95 0.94 2rl1A1 VAL 64 H -0.01 0.29 0.11 -0.55 8.24 8.09 2rl1A1 VAL 64 HA -0.00 0.34 0.89 -0.75 4.13 4.60 2rl1A1 VAL 64 HB -0.01 -0.01 -0.15 -0.04 2.12 1.92 2rl1A1 VAL 64 HG13 -0.02 0.00 -0.13 -0.04 0.97 0.78 2rl1A1 VAL 64 HG23 -0.02 0.00 -0.26 -0.04 0.95 0.63 2rl1A1 ASP 65 H -0.00 0.61 0.32 -0.55 8.40 8.78 2rl1A1 ASP 65 HA -0.01 0.07 0.63 -0.75 4.63 4.57 2rl1A1 ASP 65 HB2 0.00 -0.04 -0.07 -0.04 2.71 2.56 2rl1A1 ASP 65 HB3 -0.00 0.05 0.03 -0.04 2.70 2.74 2rl1A1 ARG 66 H -0.00 0.14 0.16 -0.55 8.46 8.20 2rl1A1 ARG 66 HA 0.00 0.26 0.82 -0.75 4.34 4.67 2rl1A1 ARG 66 HB2 0.00 -0.06 0.01 -0.04 1.90 1.82 2rl1A1 ARG 66 HB3 0.01 -0.05 0.10 -0.04 1.80 1.81 2rl1A1 ARG 66 HG2 0.01 0.08 -0.19 -0.04 1.67 1.53 2rl1A1 ARG 66 HG3 0.01 0.15 -0.36 -0.04 1.67 1.42 2rl1A1 ARG 66 HD2 0.02 -0.05 -0.05 -0.04 3.22 3.10 2rl1A1 ARG 66 HD3 0.02 -0.01 0.00 -0.04 3.22 3.20 2rl1A1 ASP 67 H 0.01 0.51 0.24 -0.55 8.40 8.61 2rl1A1 ASP 67 HA 0.01 0.25 0.78 -0.75 4.63 4.91 2rl1A1 ASP 67 HB2 0.01 -0.10 0.20 -0.04 2.71 2.78 2rl1A1 ASP 67 HB3 0.01 0.12 0.07 -0.04 2.70 2.85 2rl1A1 ALA 68 H 0.01 0.19 0.16 -0.55 8.40 8.21 2rl1A1 ALA 68 HA 0.01 0.14 0.38 -0.75 4.34 4.12 2rl1A1 ALA 68 HB3 0.01 0.03 0.10 -0.04 1.41 1.50 2rl1A1 THR 69 H 0.01 0.01 -0.32 -0.55 8.28 7.43 2rl1A1 THR 69 HA 0.01 0.19 0.60 -0.75 4.39 4.44 2rl1A1 THR 69 HB 0.01 0.05 0.11 -0.04 4.32 4.45 2rl1A1 THR 69 HG23 0.01 0.01 -0.00 -0.04 1.22 1.19 2rl1A1 GLY 70 H 0.01 0.49 -0.37 -0.55 8.43 8.02 2rl1A1 GLY 70 HA2 0.02 0.07 0.26 -0.51 4.01 3.86 2rl1A1 GLY 70 HA3 0.02 0.12 0.64 -0.51 4.01 4.29 2rl1A1 ALA 71 H 0.01 -0.06 -0.33 -0.55 8.40 7.47 2rl1A1 ALA 71 HA 0.01 0.14 0.64 -0.75 4.34 4.37 2rl1A1 ALA 71 HB3 0.01 0.00 -0.02 -0.04 1.41 1.36 2rl1A1 VAL 72 H 0.01 0.74 0.38 -0.55 8.24 8.82 2rl1A1 VAL 72 HA -0.00 0.16 0.91 -0.75 4.13 4.44 2rl1A1 VAL 72 HB -0.01 -0.06 0.18 -0.04 2.12 2.18 2rl1A1 VAL 72 HG13 -0.02 -0.00 -0.28 -0.04 0.97 0.63 2rl1A1 VAL 72 HG23 -0.01 -0.00 -0.08 -0.04 0.95 0.82 2rl1A1 LEU 73 H 0.00 0.63 0.35 -0.55 8.37 8.81 2rl1A1 LEU 73 HA 0.02 0.25 0.98 -0.75 4.35 4.85 2rl1A1 LEU 73 HB2 0.01 -0.01 0.17 -0.04 1.64 1.77 2rl1A1 LEU 73 HB3 0.01 0.05 0.07 -0.04 1.64 1.73 2rl1A1 LEU 73 HG 0.01 -0.03 -0.03 -0.04 1.64 1.55 2rl1A1 LEU 73 HD13 0.01 -0.01 -0.02 -0.04 0.93 0.87 2rl1A1 LEU 73 HD23 0.02 0.00 -0.11 -0.04 0.89 0.76 2rl1A1 LEU 74 H 0.03 0.69 0.41 -0.55 8.37 8.95 2rl1A1 LEU 74 HA 0.01 0.27 1.13 -0.75 4.35 5.01 2rl1A1 LEU 74 HB2 0.00 -0.06 -0.23 -0.04 1.64 1.31 2rl1A1 LEU 74 HB3 0.04 -0.02 0.05 -0.04 1.64 1.66 2rl1A1 LEU 74 HG 0.01 0.02 -0.20 -0.04 1.64 1.43 2rl1A1 LEU 74 HD13 -0.01 -0.01 -0.14 -0.04 0.93 0.72 2rl1A1 LEU 74 HD23 0.05 0.01 -0.41 -0.04 0.89 0.50 2rl1A1 ASP 75 H 0.02 0.81 0.26 -0.55 8.40 8.94 2rl1A1 ASP 75 HA 0.03 0.15 0.86 -0.75 4.63 4.92 2rl1A1 ASP 75 HB2 0.02 -0.02 -0.04 -0.04 2.71 2.63 2rl1A1 ASP 75 HB3 0.02 0.00 0.25 -0.04 2.70 2.93 2rl1A1 ALA 76 H 0.05 0.34 -0.06 -0.55 8.40 8.18 2rl1A1 ALA 76 HA 0.06 0.07 0.79 -0.75 4.34 4.49 2rl1A1 ALA 76 HB3 0.09 0.08 0.04 -0.04 1.41 1.57 2rl1A1 SER 77 H 0.04 -0.04 -0.31 -0.55 8.46 7.61 2rl1A1 SER 77 HA 0.07 0.22 0.44 -0.75 4.49 4.47 2rl1A1 SER 77 HB2 0.04 0.04 0.11 -0.04 3.95 4.10 2rl1A1 SER 77 HB3 0.03 0.02 0.01 -0.04 3.93 3.95 2rl1A1 ASN 78 H 0.05 0.05 -0.49 -0.55 8.53 7.58 2rl1A1 ASN 78 HA 0.06 0.28 0.89 -0.75 4.76 5.24 2rl1A1 ASN 78 HB2 0.02 -0.04 -0.15 -0.04 2.88 2.67 2rl1A1 ASN 78 HB3 0.01 0.00 0.07 -0.04 2.79 2.83 2rl1A1 ASN 78 HD21 -0.02 -0.05 0.03 -0.04 7.03 6.95 2rl1A1 ASN 78 HD22 -0.01 0.01 0.09 -0.04 7.74 7.79 2rl1A1 ILE 79 H 0.11 0.29 -0.15 -0.55 8.25 7.95 2rl1A1 ILE 79 HA -0.11 0.04 0.52 -0.75 4.18 3.88 2rl1A1 ILE 79 HB -0.03 0.05 0.13 -0.04 1.89 2.00 2rl1A1 ILE 79 HG12 0.01 -0.11 -0.15 -0.04 1.49 1.20 2rl1A1 ILE 79 HG13 0.11 -0.01 -0.07 -0.04 1.21 1.19 2rl1A1 ILE 79 HG23 -0.41 0.01 -0.02 -0.04 0.93 0.47 2rl1A1 ILE 79 HD13 0.28 0.02 0.06 -0.04 0.88 1.19 2rl1A1 ASN 80 H -0.25 0.32 0.42 -0.55 8.53 8.47 2rl1A1 ASN 80 HA -0.28 0.20 0.91 -0.75 4.76 4.84 2rl1A1 ASN 80 HB2 -0.09 -0.10 0.14 -0.04 2.88 2.79 2rl1A1 ASN 80 HB3 -0.08 0.04 -0.05 -0.04 2.79 2.66 2rl1A1 ASN 80 HD21 -0.06 -0.05 0.01 -0.04 7.03 6.89 2rl1A1 ASN 80 HD22 -0.05 -0.05 0.01 -0.04 7.74 7.61 2rl1A1 HIS 81 H -0.56 0.52 0.29 -0.55 8.41 8.11 2rl1A1 HIS 81 HA -0.49 0.08 0.83 -0.75 4.63 4.30 2rl1A1 HIS 81 HB2 -0.21 -0.02 -0.02 -0.04 3.26 2.96 2rl1A1 HIS 81 HB3 -0.23 0.10 0.29 -0.04 3.20 3.31 2rl1A1 HIS 81 HD2 -0.06 0.22 0.10 -0.04 6.97 7.19 2rl1A1 HIS 81 HE1 -0.04 -0.05 0.02 -0.04 7.75 7.64 2rl1A1 PHE 82 H -0.55 0.10 0.07 -0.55 8.34 7.41 2rl1A1 PHE 82 HA -0.13 0.26 0.91 -0.75 4.62 4.91 2rl1A1 PHE 82 HB2 -0.12 -0.07 -0.02 -0.04 3.15 2.90 2rl1A1 PHE 82 HB3 -0.05 0.10 0.07 -0.04 3.06 3.14 2rl1A1 PHE 82 HD2 -0.19 -0.03 -0.10 -0.04 7.28 6.92 2rl1A1 PHE 82 HE2 -0.89 0.05 -0.14 -0.04 7.38 6.36 2rl1A1 PHE 82 HZ -0.31 0.08 -0.10 -0.04 7.32 6.95 2rl1A1 THR 83 H -0.62 0.24 -0.05 -0.55 8.28 7.30 2rl1A1 THR 83 HA -0.01 0.36 1.09 -0.75 4.39 5.07 2rl1A1 THR 83 HB -0.26 -0.00 0.04 -0.04 4.32 4.05 2rl1A1 THR 83 HG23 0.03 -0.04 -0.37 -0.04 1.22 0.79 2rl1A1 ALA 84 H 0.12 0.66 0.31 -0.55 8.40 8.94 2rl1A1 ALA 84 HA 0.13 0.21 0.76 -0.75 4.34 4.68 2rl1A1 ALA 84 HB3 0.11 -0.03 0.14 -0.04 1.41 1.59 2rl1A1 PRO 85 HA 0.38 0.07 0.47 -0.51 4.44 4.84 2rl1A1 PRO 85 HB2 0.15 -0.11 0.01 -0.04 2.28 2.29 2rl1A1 PRO 85 HB3 0.17 0.15 0.06 -0.04 2.02 2.36 2rl1A1 PRO 85 HG2 0.09 -0.19 0.08 -0.04 2.03 1.96 2rl1A1 PRO 85 HG3 0.09 0.16 0.06 -0.04 2.03 2.31 2rl1A1 PRO 85 HD2 0.12 0.09 0.23 -0.04 3.68 4.08 2rl1A1 PRO 85 HD3 0.16 0.45 0.15 -0.04 3.65 4.36 2rl1A1 TYR 86 H 0.41 0.24 0.17 -0.55 8.29 8.55 2rl1A1 TYR 86 HA -0.09 0.05 0.38 -0.75 4.56 4.15 2rl1A1 TYR 86 HB2 -0.18 0.09 0.14 -0.04 3.06 3.06 2rl1A1 TYR 86 HB3 0.05 -0.00 0.12 -0.04 2.98 3.11 2rl1A1 TYR 86 HD2 -0.09 0.02 -0.12 -0.04 7.15 6.92 2rl1A1 TYR 86 HE2 -0.04 0.02 -0.04 -0.04 6.85 6.75 2rl1A1 GLU 87 H 0.19 0.10 -0.23 -0.55 8.60 8.12 2rl1A1 GLU 87 HA 0.01 0.07 0.32 -0.75 4.29 3.94 2rl1A1 GLU 87 HB2 0.04 0.07 -0.11 -0.04 2.09 2.05 2rl1A1 GLU 87 HB3 0.08 0.04 0.06 -0.04 1.99 2.13 2rl1A1 GLU 87 HG2 0.11 -0.08 -0.07 -0.04 2.34 2.27 2rl1A1 GLU 87 HG3 0.08 0.10 -0.01 -0.04 2.34 2.47 2rl1A1 LEU 88 H 0.00 0.34 -0.37 -0.55 8.37 7.79 2rl1A1 LEU 88 HA -0.03 0.16 0.79 -0.75 4.35 4.52 2rl1A1 LEU 88 HB2 0.04 0.08 0.07 -0.04 1.64 1.78 2rl1A1 LEU 88 HB3 0.03 -0.01 -0.05 -0.04 1.64 1.57 2rl1A1 LEU 88 HG 0.03 -0.09 -0.15 -0.04 1.64 1.39 2rl1A1 LEU 88 HD13 0.04 0.02 -0.11 -0.04 0.93 0.85 2rl1A1 LEU 88 HD23 0.01 0.02 -0.05 -0.04 0.89 0.82 2rl1A1 VAL 89 H -0.05 0.57 0.03 -0.55 8.24 8.24 2rl1A1 VAL 89 HA -0.06 0.04 0.28 -0.75 4.13 3.64 2rl1A1 VAL 89 HB -0.14 -0.02 -0.02 -0.04 2.12 1.90 2rl1A1 VAL 89 HG13 -0.13 0.05 -0.27 -0.04 0.97 0.58 2rl1A1 VAL 89 HG23 -0.01 -0.00 -0.11 -0.04 0.95 0.79 2rl1A1 LYS 90 H -0.36 0.57 -0.25 -0.55 8.42 7.83 2rl1A1 LYS 90 HA -0.24 -0.03 0.29 -0.75 4.32 3.59 2rl1A1 LYS 90 HB2 -0.31 -0.06 0.04 -0.04 1.87 1.50 2rl1A1 LYS 90 HB3 -0.95 0.04 0.05 -0.04 1.79 0.89 2rl1A1 LYS 90 HG2 -0.34 0.16 -0.16 -0.04 1.46 1.08 2rl1A1 LYS 90 HG3 -0.19 -0.01 -0.36 -0.04 1.46 0.86 2rl1A1 LYS 90 HD2 -0.14 -0.06 -0.06 -0.04 1.69 1.39 2rl1A1 LYS 90 HD3 -0.43 -0.04 -0.09 -0.04 1.68 1.08 2rl1A1 LYS 90 HE2 -0.07 0.13 0.06 -0.04 2.99 3.07 2rl1A1 LYS 90 HE3 -0.07 -0.03 -0.04 -0.04 2.99 2.81 2rl1A1 THR 91 H -0.12 0.45 -0.57 -0.55 8.28 7.50 2rl1A1 THR 91 HA -0.06 0.10 0.67 -0.75 4.39 4.36 2rl1A1 THR 91 HB -0.03 -0.11 0.09 -0.04 4.32 4.23 2rl1A1 THR 91 HG23 -0.07 0.01 -0.00 -0.04 1.22 1.12 2rl1A1 MET 92 H -0.07 0.49 -0.31 -0.55 8.47 8.03 2rl1A1 MET 92 HA -0.05 -0.00 0.60 -0.75 4.52 4.32 2rl1A1 MET 92 HB2 0.01 0.12 -0.21 -0.04 2.15 2.03 2rl1A1 MET 92 HB3 0.02 0.07 0.04 -0.04 2.03 2.12 2rl1A1 MET 92 HG2 0.00 -0.24 -0.12 -0.04 2.63 2.23 2rl1A1 MET 92 HG3 0.01 -0.02 0.03 -0.04 2.56 2.53 2rl1A1 MET 92 HE3 0.29 -0.01 -0.12 -0.04 2.10 2.22 2rl1A1 ARG 93 H -0.11 0.17 0.05 -0.55 8.46 8.02 2rl1A1 ARG 93 HA -0.16 0.22 0.34 -0.75 4.34 3.99 2rl1A1 ARG 93 HB2 -0.18 0.05 0.09 -0.04 1.90 1.82 2rl1A1 ARG 93 HB3 -0.13 0.09 0.07 -0.04 1.80 1.79 2rl1A1 ARG 93 HG2 -0.14 -0.10 0.04 -0.04 1.67 1.43 2rl1A1 ARG 93 HG3 -0.20 -0.03 -0.18 -0.04 1.67 1.22 2rl1A1 ARG 93 HD2 -0.12 0.02 -0.03 -0.04 3.22 3.05 2rl1A1 ARG 93 HD3 -0.13 -0.08 -0.05 -0.04 3.22 2.92 2rl1A1 ALA 94 H -0.17 0.07 -0.46 -0.55 8.40 7.29 2rl1A1 ALA 94 HA -0.66 0.04 0.40 -0.75 4.34 3.37 2rl1A1 ALA 94 HB3 -0.20 0.01 -0.01 -0.04 1.41 1.18 2rl1A1 SER 95 H -0.16 0.57 -0.35 -0.55 8.46 7.98 2rl1A1 SER 95 HA -0.61 0.06 0.32 -0.75 4.49 3.49 2rl1A1 SER 95 HB2 0.01 -0.01 0.07 -0.04 3.95 3.97 2rl1A1 SER 95 HB3 0.08 0.02 0.05 -0.04 3.93 4.04 2rl1A1 ILE 96 H -0.38 0.35 -0.73 -0.55 8.25 6.94 2rl1A1 ILE 96 HA -0.18 0.09 0.38 -0.75 4.18 3.73 2rl1A1 ILE 96 HB -0.34 0.17 0.14 -0.04 1.89 1.82 2rl1A1 ILE 96 HG12 -0.18 0.06 0.08 -0.04 1.49 1.41 2rl1A1 ILE 96 HG13 -0.36 -0.03 0.04 -0.04 1.21 0.82 2rl1A1 ILE 96 HG23 -0.65 -0.03 -0.12 -0.04 0.93 0.09 2rl1A1 ILE 96 HD13 -0.29 -0.03 -0.05 -0.04 0.88 0.47 2rl1A1 TRP 97 H -0.38 0.55 -0.33 -0.55 7.97 7.26 2rl1A1 TRP 97 HA -0.08 -0.01 0.34 -0.75 4.62 4.12 2rl1A1 TRP 97 HB2 -0.72 0.13 0.03 -0.04 3.23 2.63 2rl1A1 TRP 97 HB3 -0.12 0.03 -0.01 -0.04 3.23 3.08 2rl1A1 TRP 97 HD1 0.07 0.01 -0.05 -0.04 7.22 7.21 2rl1A1 TRP 97 HE1 0.07 0.18 0.14 -0.04 10.20 10.55 2rl1A1 TRP 97 HE3 0.06 0.10 -0.18 -0.04 7.59 7.53 2rl1A1 TRP 97 HZ2 0.04 -0.10 -0.12 -0.04 7.44 7.22 2rl1A1 TRP 97 HZ3 0.08 -0.07 -0.11 -0.04 7.13 6.98 2rl1A1 TRP 97 HH2 0.04 -0.06 -0.03 -0.04 7.19 7.09 2rl1A1 ALA 98 H -0.20 0.46 -0.57 -0.55 8.40 7.54 2rl1A1 ALA 98 HA 0.27 0.15 0.47 -0.75 4.34 4.46 2rl1A1 ALA 98 HB3 0.18 0.01 0.02 -0.04 1.41 1.58 2rl1A1 LEU 99 H 0.05 0.30 -0.23 -0.55 8.37 7.94 2rl1A1 LEU 99 HA 0.10 0.06 0.25 -0.75 4.35 4.01 2rl1A1 LEU 99 HB2 0.04 -0.02 0.02 -0.04 1.64 1.65 2rl1A1 LEU 99 HB3 0.07 -0.01 0.03 -0.04 1.64 1.69 2rl1A1 LEU 99 HG 0.07 0.02 -0.33 -0.04 1.64 1.36 2rl1A1 LEU 99 HD13 0.07 -0.01 -0.21 -0.04 0.93 0.74 2rl1A1 LEU 99 HD23 0.04 -0.02 -0.15 -0.04 0.89 0.72 2rl1A1 ALA 100 H 0.13 0.09 -0.22 -0.55 8.40 7.86 2rl1A1 ALA 100 HA 0.09 0.02 0.25 -0.75 4.34 3.95 2rl1A1 ALA 100 HB3 0.12 0.01 0.03 -0.04 1.41 1.53 2rl1A1 PRO 101 HA 0.06 0.10 0.37 -0.51 4.44 4.46 2rl1A1 PRO 101 HB2 0.12 0.07 -0.15 -0.04 2.28 2.28 2rl1A1 PRO 101 HB3 0.09 -0.02 -0.01 -0.04 2.02 2.04 2rl1A1 PRO 101 HG2 0.19 0.12 0.02 -0.04 2.03 2.33 2rl1A1 PRO 101 HG3 0.20 0.13 -0.03 -0.04 2.03 2.30 2rl1A1 PRO 101 HD2 0.15 -0.04 -0.36 -0.04 3.68 3.40 2rl1A1 PRO 101 HD3 0.12 0.02 0.01 -0.04 3.65 3.76 2rl1A1 LEU 102 H 0.17 0.37 -0.29 -0.55 8.37 8.08 2rl1A1 LEU 102 HA 0.40 0.09 0.41 -0.75 4.35 4.49 2rl1A1 LEU 102 HB2 0.18 0.01 0.16 -0.04 1.64 1.95 2rl1A1 LEU 102 HB3 0.27 0.15 0.12 -0.04 1.64 2.14 2rl1A1 LEU 102 HG 0.23 0.10 0.08 -0.04 1.64 2.02 2rl1A1 LEU 102 HD13 0.17 -0.05 -0.12 -0.04 0.93 0.89 2rl1A1 LEU 102 HD23 0.38 0.01 0.05 -0.04 0.89 1.28 2rl1A1 VAL 103 H 0.12 0.50 -0.22 -0.55 8.24 8.08 2rl1A1 VAL 103 HA 0.11 -0.05 0.23 -0.75 4.13 3.66 2rl1A1 VAL 103 HB 0.06 0.04 -0.17 -0.04 2.12 2.02 2rl1A1 VAL 103 HG13 0.04 0.00 -0.45 -0.04 0.97 0.52 2rl1A1 VAL 103 HG23 0.08 0.06 -0.26 -0.04 0.95 0.79 2rl1A1 ALA 104 H 0.07 0.35 -0.30 -0.55 8.40 7.97 2rl1A1 ALA 104 HA 0.04 0.02 0.41 -0.75 4.34 4.06 2rl1A1 ALA 104 HB3 0.02 -0.01 0.08 -0.04 1.41 1.45 2rl1A1 ARG 105 H -0.03 0.45 -0.16 -0.55 8.46 8.16 2rl1A1 ARG 105 HA -0.17 0.18 0.79 -0.75 4.34 4.39 2rl1A1 ARG 105 HB2 -0.24 -0.07 0.06 -0.04 1.90 1.62 2rl1A1 ARG 105 HB3 -0.53 0.05 0.10 -0.04 1.80 1.38 2rl1A1 ARG 105 HG2 -1.25 -0.03 -0.18 -0.04 1.67 0.18 2rl1A1 ARG 105 HG3 -0.40 -0.03 0.10 -0.04 1.67 1.31 2rl1A1 ARG 105 HD2 -0.24 -0.02 0.07 -0.04 3.22 3.00 2rl1A1 ARG 105 HD3 -0.67 0.04 0.01 -0.04 3.22 2.56 2rl1A1 PHE 106 H -0.01 0.57 0.10 -0.55 8.34 8.45 2rl1A1 PHE 106 HA -0.22 0.19 0.90 -0.75 4.62 4.74 2rl1A1 PHE 106 HB2 -0.14 0.17 0.15 -0.04 3.15 3.29 2rl1A1 PHE 106 HB3 -0.45 -0.09 0.14 -0.04 3.06 2.62 2rl1A1 PHE 106 HD2 0.09 -0.02 0.06 -0.04 7.28 7.37 2rl1A1 PHE 106 HE2 0.12 -0.01 0.01 -0.04 7.38 7.46 2rl1A1 PHE 106 HZ 0.10 0.03 0.02 -0.04 7.32 7.43 2rl1A1 HIS 107 H 0.20 0.22 -0.29 -0.55 8.41 7.99 2rl1A1 HIS 107 HA -0.01 0.29 0.34 -0.75 4.63 4.50 2rl1A1 HIS 107 HB2 -0.03 0.12 -0.03 -0.04 3.26 3.28 2rl1A1 HIS 107 HB3 -0.02 0.22 0.22 -0.04 3.20 3.57 2rl1A1 HIS 107 HD2 -0.02 0.01 -0.18 -0.04 6.97 6.74 2rl1A1 HIS 107 HE1 -0.04 0.05 -0.05 -0.04 7.75 7.67 2rl1A1 GLN 108 H 0.07 0.31 -0.38 -0.55 8.47 7.92 2rl1A1 GLN 108 HA 0.02 0.17 0.52 -0.75 4.36 4.32 2rl1A1 GLN 108 HB2 -0.04 -0.07 0.12 -0.04 2.15 2.12 2rl1A1 GLN 108 HB3 -0.05 0.12 -0.08 -0.04 2.02 1.96 2rl1A1 GLN 108 HG2 -0.37 0.19 -0.15 -0.04 2.40 2.03 2rl1A1 GLN 108 HG3 -0.33 -0.07 -0.26 -0.04 2.39 1.69 2rl1A1 GLN 108 HE21 -0.06 -0.06 -0.06 -0.04 6.97 6.75 2rl1A1 GLN 108 HE22 -0.10 -0.06 -0.12 -0.04 7.69 7.37 2rl1A1 GLY 109 H 0.04 0.57 0.31 -0.55 8.43 8.81 2rl1A1 GLY 109 HA2 0.13 0.24 0.59 -0.51 4.01 4.45 2rl1A1 GLY 109 HA3 0.11 -0.02 0.28 -0.51 4.01 3.87 2rl1A1 GLN 110 H 0.09 0.46 0.29 -0.55 8.47 8.77 2rl1A1 GLN 110 HA 0.10 0.31 0.99 -0.75 4.36 5.01 2rl1A1 GLN 110 HB2 0.02 0.06 -0.18 -0.04 2.15 2.01 2rl1A1 GLN 110 HB3 0.01 0.00 0.10 -0.04 2.02 2.09 2rl1A1 GLN 110 HG2 0.10 -0.11 -0.27 -0.04 2.40 2.08 2rl1A1 GLN 110 HG3 0.14 0.02 -0.15 -0.04 2.39 2.36 2rl1A1 GLN 110 HE21 -0.37 0.01 -0.09 -0.04 6.97 6.48 2rl1A1 GLN 110 HE22 -0.76 -0.08 -0.14 -0.04 7.69 6.67 2rl1A1 VAL 111 H 0.15 0.57 0.28 -0.55 8.24 8.68 2rl1A1 VAL 111 HA 0.16 0.18 0.94 -0.75 4.13 4.65 2rl1A1 VAL 111 HB 0.02 -0.04 0.05 -0.04 2.12 2.11 2rl1A1 VAL 111 HG13 -0.04 0.06 -0.12 -0.04 0.97 0.83 2rl1A1 VAL 111 HG23 0.06 -0.03 -0.21 -0.04 0.95 0.73 2rl1A1 SER 112 H 0.02 0.35 0.15 -0.55 8.46 8.44 2rl1A1 SER 112 HA -0.64 0.12 0.55 -0.75 4.49 3.77 2rl1A1 SER 112 HB2 -0.26 -0.08 0.07 -0.04 3.95 3.64 2rl1A1 SER 112 HB3 -0.14 -0.06 -0.03 -0.04 3.93 3.65 2rl1A1 LEU 113 H -0.16 0.58 0.33 -0.55 8.37 8.57 2rl1A1 LEU 113 HA -0.08 0.06 0.50 -0.75 4.35 4.07 2rl1A1 LEU 113 HB2 -0.05 -0.06 -0.01 -0.04 1.64 1.48 2rl1A1 LEU 113 HB3 -0.05 -0.01 0.08 -0.04 1.64 1.61 2rl1A1 LEU 113 HG -0.05 0.20 -0.16 -0.04 1.64 1.59 2rl1A1 LEU 113 HD13 -0.05 -0.03 0.02 -0.04 0.93 0.83 2rl1A1 LEU 113 HD23 -0.02 -0.03 -0.07 -0.04 0.89 0.73 2rl1A1 PRO 114 HA -0.10 -0.02 0.38 -0.51 4.44 4.19 2rl1A1 PRO 114 HB2 -0.11 0.03 0.08 -0.04 2.28 2.23 2rl1A1 PRO 114 HB3 -0.13 -0.05 0.07 -0.04 2.02 1.87 2rl1A1 PRO 114 HG2 -0.20 -0.01 0.12 -0.04 2.03 1.89 2rl1A1 PRO 114 HG3 -0.16 0.07 0.08 -0.04 2.03 1.97 2rl1A1 PRO 114 HD2 -0.13 -0.03 0.22 -0.04 3.68 3.70 2rl1A1 PRO 114 HD3 -0.13 0.31 0.30 -0.04 3.65 4.09 2rl1A1 GLY 115 H -0.06 0.06 0.08 -0.55 8.43 7.97 2rl1A1 GLY 115 HA2 -0.02 0.15 0.61 -0.51 4.01 4.24 2rl1A1 GLY 115 HA3 -0.00 -0.03 0.41 -0.51 4.01 3.87 2rl1A1 GLY 116 H -0.01 0.09 0.13 -0.55 8.43 8.09 2rl1A1 GLY 116 HA2 -0.03 0.09 0.53 -0.51 4.01 4.09 2rl1A1 GLY 116 HA3 -0.02 0.03 0.30 -0.51 4.01 3.81 2rl1A1 CYS 117 H -0.04 0.32 0.19 -0.55 8.50 8.42 2rl1A1 CYS 117 HA -0.06 0.15 0.80 -0.75 4.58 4.71 2rl1A1 CYS 117 HB2 -0.09 0.09 -0.09 -0.04 2.97 2.84 2rl1A1 CYS 117 HB3 -0.09 0.12 0.07 -0.04 2.97 3.03 2rl1A1 SER 118 H -0.06 0.17 0.12 -0.55 8.46 8.15 2rl1A1 SER 118 HA -0.04 0.12 0.38 -0.75 4.49 4.19 2rl1A1 SER 118 HB2 -0.07 0.03 0.02 -0.04 3.95 3.89 2rl1A1 SER 118 HB3 -0.05 0.08 0.14 -0.04 3.93 4.05 2rl1A1 ILE 119 H -0.15 0.01 -0.07 -0.55 8.25 7.50 2rl1A1 ILE 119 HA -0.09 0.25 0.27 -0.75 4.18 3.85 2rl1A1 ILE 119 HB -0.26 -0.05 0.00 -0.04 1.89 1.54 2rl1A1 ILE 119 HG12 -0.31 -0.03 -0.07 -0.04 1.49 1.03 2rl1A1 ILE 119 HG13 -0.50 0.12 -0.37 -0.04 1.21 0.42 2rl1A1 ILE 119 HG23 -0.17 -0.03 0.05 -0.04 0.93 0.74 2rl1A1 ILE 119 HD13 -0.89 -0.03 -0.06 -0.04 0.88 -0.14 2rl1A1 GLY 120 H -0.08 0.42 -0.53 -0.55 8.43 7.69 2rl1A1 GLY 120 HA2 0.01 0.06 0.25 -0.51 4.01 3.83 2rl1A1 GLY 120 HA3 0.06 0.01 0.65 -0.51 4.01 4.22 2rl1A1 ALA 121 H 0.05 0.11 0.15 -0.55 8.40 8.17 2rl1A1 ALA 121 HA 0.01 0.07 0.57 -0.75 4.34 4.24 2rl1A1 ALA 121 HB3 0.02 0.02 0.13 -0.04 1.41 1.54 2rl1A1 ARG 122 H 0.00 0.18 0.08 -0.55 8.46 8.17 2rl1A1 ARG 122 HA 0.07 0.19 0.86 -0.75 4.34 4.71 2rl1A1 ARG 122 HB2 -0.03 0.04 0.10 -0.04 1.90 1.97 2rl1A1 ARG 122 HB3 0.03 -0.05 0.08 -0.04 1.80 1.82 2rl1A1 ARG 122 HG2 0.24 0.08 -0.32 -0.04 1.67 1.64 2rl1A1 ARG 122 HG3 0.01 0.14 -0.72 -0.04 1.67 1.06 2rl1A1 ARG 122 HD2 -0.34 -0.09 -0.20 -0.04 3.22 2.55 2rl1A1 ARG 122 HD3 -0.13 0.00 -0.10 -0.04 3.22 2.95 2rl1A1 PRO 123 HA -0.03 0.18 0.48 -0.51 4.44 4.56 2rl1A1 PRO 123 HB2 0.00 -0.16 0.10 -0.04 2.28 2.19 2rl1A1 PRO 123 HB3 -0.00 0.11 0.10 -0.04 2.02 2.19 2rl1A1 PRO 123 HG2 0.02 -0.05 -0.03 -0.04 2.03 1.93 2rl1A1 PRO 123 HG3 0.01 0.10 0.01 -0.04 2.03 2.11 2rl1A1 PRO 123 HD2 0.03 0.20 -0.06 -0.04 3.68 3.81 2rl1A1 PRO 123 HD3 0.01 0.07 -0.11 -0.04 3.65 3.59 2rl1A1 VAL 124 H -0.03 0.22 0.14 -0.55 8.24 8.02 2rl1A1 VAL 124 HA 0.08 0.17 0.86 -0.75 4.13 4.49 2rl1A1 VAL 124 HB -0.41 -0.08 0.18 -0.04 2.12 1.77 2rl1A1 VAL 124 HG13 -0.29 0.05 -0.11 -0.04 0.97 0.59 2rl1A1 VAL 124 HG23 -0.11 0.03 -0.00 -0.04 0.95 0.83 2rl1A1 ASP 125 H 0.03 0.17 -0.07 -0.55 8.40 7.97 2rl1A1 ASP 125 HA 0.03 0.12 0.36 -0.75 4.63 4.39 2rl1A1 ASP 125 HB2 0.02 0.10 0.03 -0.04 2.71 2.82 2rl1A1 ASP 125 HB3 0.01 0.04 0.10 -0.04 2.70 2.82 2rl1A1 LEU 126 H 0.08 0.08 -0.36 -0.55 8.37 7.63 2rl1A1 LEU 126 HA 0.03 0.15 0.41 -0.75 4.35 4.19 2rl1A1 LEU 126 HB2 0.02 -0.07 -0.03 -0.04 1.64 1.52 2rl1A1 LEU 126 HB3 -0.02 0.06 -0.01 -0.04 1.64 1.63 2rl1A1 LEU 126 HG 0.03 -0.04 -0.04 -0.04 1.64 1.54 2rl1A1 LEU 126 HD13 -0.00 0.02 -0.07 -0.04 0.93 0.83 2rl1A1 LEU 126 HD23 0.01 0.02 -0.03 -0.04 0.89 0.84 2rl1A1 HIS 127 H 0.29 0.19 -0.26 -0.55 8.41 8.09 2rl1A1 HIS 127 HA 0.04 0.05 0.42 -0.75 4.63 4.38 2rl1A1 HIS 127 HB2 -0.01 0.14 0.14 -0.04 3.26 3.49 2rl1A1 HIS 127 HB3 0.03 0.06 -0.05 -0.04 3.20 3.19 2rl1A1 HIS 127 HD2 -0.02 -0.11 0.02 -0.04 6.97 6.81 2rl1A1 HIS 127 HE1 -0.24 -0.00 -0.19 -0.04 7.75 7.28 2rl1A1 ILE 128 H 0.11 0.35 -0.07 -0.55 8.25 8.09 2rl1A1 ILE 128 HA 0.06 0.07 0.29 -0.75 4.18 3.85 2rl1A1 ILE 128 HB 0.04 0.00 0.10 -0.04 1.89 1.99 2rl1A1 ILE 128 HG12 0.01 0.00 -0.07 -0.04 1.49 1.40 2rl1A1 ILE 128 HG13 0.03 0.04 -0.06 -0.04 1.21 1.18 2rl1A1 ILE 128 HG23 0.02 0.02 -0.21 -0.04 0.93 0.73 2rl1A1 ILE 128 HD13 0.01 -0.05 -0.07 -0.04 0.88 0.73 2rl1A1 SER 129 H 0.04 0.58 -0.12 -0.55 8.46 8.42 2rl1A1 SER 129 HA 0.02 0.05 0.35 -0.75 4.49 4.15 2rl1A1 SER 129 HB2 0.02 0.02 0.11 -0.04 3.95 4.06 2rl1A1 SER 129 HB3 0.02 -0.04 0.14 -0.04 3.93 4.01 2rl1A1 GLY 130 H 0.03 0.46 -0.30 -0.55 8.43 8.08 2rl1A1 GLY 130 HA2 0.01 0.02 0.36 -0.51 4.01 3.89 2rl1A1 GLY 130 HA3 0.01 0.02 0.28 -0.51 4.01 3.81 2rl1A1 LEU 131 H 0.04 0.49 -0.13 -0.55 8.37 8.23 2rl1A1 LEU 131 HA 0.03 0.07 0.42 -0.75 4.35 4.11 2rl1A1 LEU 131 HB2 0.05 0.06 0.05 -0.04 1.64 1.76 2rl1A1 LEU 131 HB3 0.04 0.01 -0.10 -0.04 1.64 1.54 2rl1A1 LEU 131 HG 0.07 0.04 -0.07 -0.04 1.64 1.64 2rl1A1 LEU 131 HD13 0.08 -0.03 -0.22 -0.04 0.93 0.72 2rl1A1 LEU 131 HD23 0.05 0.02 -0.13 -0.04 0.89 0.79 2rl1A1 GLU 132 H 0.02 0.58 -0.14 -0.55 8.60 8.52 2rl1A1 GLU 132 HA 0.01 0.27 0.49 -0.75 4.29 4.30 2rl1A1 GLU 132 HB2 0.01 0.09 0.14 -0.04 2.09 2.29 2rl1A1 GLU 132 HB3 0.01 -0.03 0.07 -0.04 1.99 2.00 2rl1A1 GLU 132 HG2 0.02 0.03 0.02 -0.04 2.34 2.36 2rl1A1 GLU 132 HG3 0.02 0.31 0.00 -0.04 2.34 2.63 2rl1A1 LYS 133 H 0.01 0.36 -0.29 -0.55 8.42 7.95 2rl1A1 LYS 133 HA 0.00 0.03 0.45 -0.75 4.32 4.05 2rl1A1 LYS 133 HB2 0.00 0.10 0.10 -0.04 1.87 2.04 2rl1A1 LYS 133 HB3 0.00 -0.01 0.05 -0.04 1.79 1.79 2rl1A1 LYS 133 HG2 0.00 -0.03 0.04 -0.04 1.46 1.42 2rl1A1 LYS 133 HG3 0.01 0.17 0.06 -0.04 1.46 1.66 2rl1A1 LYS 133 HD2 0.00 -0.08 -0.02 -0.04 1.69 1.56 2rl1A1 LYS 133 HD3 0.00 -0.06 -0.02 -0.04 1.68 1.56 2rl1A1 LYS 133 HE2 0.00 0.13 0.06 -0.04 2.99 3.14 2rl1A1 LYS 133 HE3 0.00 -0.02 0.05 -0.04 2.99 2.99 2rl1A1 LEU 134 H 0.00 0.26 -0.49 -0.55 8.37 7.60 2rl1A1 LEU 134 HA -0.01 0.27 0.61 -0.75 4.35 4.46 2rl1A1 LEU 134 HB2 0.00 0.10 0.10 -0.04 1.64 1.80 2rl1A1 LEU 134 HB3 -0.01 -0.08 0.03 -0.04 1.64 1.54 2rl1A1 LEU 134 HG 0.00 0.10 -0.03 -0.04 1.64 1.67 2rl1A1 LEU 134 HD13 0.01 -0.03 -0.15 -0.04 0.93 0.72 2rl1A1 LEU 134 HD23 -0.01 0.01 -0.11 -0.04 0.89 0.74 2rl1A1 GLY 135 H -0.01 0.33 -0.40 -0.55 8.43 7.81 2rl1A1 GLY 135 HA2 -0.02 -0.01 0.25 -0.51 4.01 3.73 2rl1A1 GLY 135 HA3 -0.03 0.15 0.91 -0.51 4.01 4.53 2rl1A1 ALA 136 H -0.00 0.29 0.08 -0.55 8.40 8.22 2rl1A1 ALA 136 HA -0.01 0.24 0.70 -0.75 4.34 4.52 2rl1A1 ALA 136 HB3 0.01 -0.04 -0.22 -0.04 1.41 1.12 2rl1A1 ASP 137 H -0.00 0.95 0.44 -0.55 8.40 9.24 2rl1A1 ASP 137 HA 0.00 0.08 0.79 -0.75 4.63 4.75 2rl1A1 ASP 137 HB2 0.00 -0.04 0.15 -0.04 2.71 2.78 2rl1A1 ASP 137 HB3 0.00 -0.05 0.04 -0.04 2.70 2.66 2rl1A1 ILE 138 H 0.01 0.19 0.16 -0.55 8.25 8.07 2rl1A1 ILE 138 HA 0.02 0.51 1.25 -0.75 4.18 5.21 2rl1A1 ILE 138 HB 0.02 -0.06 -0.01 -0.04 1.89 1.80 2rl1A1 ILE 138 HG12 0.03 0.07 -0.25 -0.04 1.49 1.29 2rl1A1 ILE 138 HG13 0.02 0.02 -0.61 -0.04 1.21 0.61 2rl1A1 ILE 138 HG23 0.03 -0.02 -0.24 -0.04 0.93 0.65 2rl1A1 ILE 138 HD13 0.04 -0.01 -0.16 -0.04 0.88 0.70 2rl1A1 VAL 139 H 0.03 0.68 0.38 -0.55 8.24 8.78 2rl1A1 VAL 139 HA 0.02 0.15 0.88 -0.75 4.13 4.42 2rl1A1 VAL 139 HB 0.02 -0.03 0.02 -0.04 2.12 2.09 2rl1A1 VAL 139 HG13 0.01 0.01 -0.23 -0.04 0.97 0.72 2rl1A1 VAL 139 HG23 0.02 0.02 -0.10 -0.04 0.95 0.86 2rl1A1 LEU 140 H 0.02 0.21 0.15 -0.55 8.37 8.20 2rl1A1 LEU 140 HA 0.04 0.35 0.99 -0.75 4.35 4.98 2rl1A1 LEU 140 HB2 0.01 -0.00 -0.02 -0.04 1.64 1.59 2rl1A1 LEU 140 HB3 0.01 -0.00 0.17 -0.04 1.64 1.78 2rl1A1 LEU 140 HG 0.02 -0.08 -0.31 -0.04 1.64 1.22 2rl1A1 LEU 140 HD13 0.01 0.05 -0.27 -0.04 0.93 0.68 2rl1A1 LEU 140 HD23 0.00 0.00 -0.05 -0.04 0.89 0.80 2rl1A1 GLU 141 H 0.08 0.73 0.25 -0.55 8.60 9.12 2rl1A1 GLU 141 HA 0.04 0.14 0.97 -0.75 4.29 4.69 2rl1A1 GLU 141 HB2 0.05 0.04 0.04 -0.04 2.09 2.18 2rl1A1 GLU 141 HB3 0.03 0.02 0.02 -0.04 1.99 2.02 2rl1A1 GLU 141 HG2 0.03 0.10 -0.39 -0.04 2.34 2.03 2rl1A1 GLU 141 HG3 0.04 0.01 -0.31 -0.04 2.34 2.03 2rl1A1 GLU 142 H 0.04 0.21 0.12 -0.55 8.60 8.42 2rl1A1 GLU 142 HA 0.03 0.05 0.33 -0.75 4.29 3.95 2rl1A1 GLU 142 HB2 0.07 0.01 -0.35 -0.04 2.09 1.77 2rl1A1 GLU 142 HB3 0.13 0.03 0.22 -0.04 1.99 2.33 2rl1A1 GLU 142 HG2 0.03 0.03 0.01 -0.04 2.34 2.38 2rl1A1 GLU 142 HG3 0.03 0.01 0.07 -0.04 2.34 2.40 2rl1A1 GLY 143 H 0.03 0.05 -0.38 -0.55 8.43 7.59 2rl1A1 GLY 143 HA2 -0.04 -0.00 0.24 -0.51 4.01 3.70 2rl1A1 GLY 143 HA3 -0.08 0.15 0.58 -0.51 4.01 4.15 2rl1A1 TYR 144 H 0.17 0.50 -0.31 -0.55 8.29 8.10 2rl1A1 TYR 144 HA 0.03 0.11 1.03 -0.75 4.56 4.97 2rl1A1 TYR 144 HB2 0.02 0.19 0.03 -0.04 3.06 3.26 2rl1A1 TYR 144 HB3 0.02 0.03 -0.24 -0.04 2.98 2.75 2rl1A1 TYR 144 HD2 0.02 0.08 -0.30 -0.04 7.15 6.91 2rl1A1 TYR 144 HE2 0.04 0.06 -0.07 -0.04 6.85 6.85 2rl1A1 VAL 145 H 0.07 0.74 0.25 -0.55 8.24 8.75 2rl1A1 VAL 145 HA 0.05 0.12 0.72 -0.75 4.13 4.27 2rl1A1 VAL 145 HB 0.03 0.02 0.21 -0.04 2.12 2.34 2rl1A1 VAL 145 HG13 0.02 -0.01 -0.16 -0.04 0.97 0.78 2rl1A1 VAL 145 HG23 -0.02 -0.02 -0.03 -0.04 0.95 0.84 2rl1A1 LYS 146 H 0.06 0.84 0.42 -0.55 8.42 9.18 2rl1A1 LYS 146 HA 0.06 0.24 1.10 -0.75 4.32 4.96 2rl1A1 LYS 146 HB2 0.04 -0.08 0.15 -0.04 1.87 1.94 2rl1A1 LYS 146 HB3 0.03 0.09 0.02 -0.04 1.79 1.88 2rl1A1 LYS 146 HG2 0.06 0.00 -0.18 -0.04 1.46 1.31 2rl1A1 LYS 146 HG3 0.09 0.03 -0.15 -0.04 1.46 1.38 2rl1A1 LYS 146 HD2 0.03 -0.05 -0.06 -0.04 1.69 1.56 2rl1A1 LYS 146 HD3 0.01 0.06 -0.06 -0.04 1.68 1.64 2rl1A1 LYS 146 HE2 -0.04 -0.01 -0.09 -0.04 2.99 2.81 2rl1A1 LYS 146 HE3 0.06 0.02 -0.03 -0.04 2.99 3.00 2rl1A1 ALA 147 H 0.05 0.74 0.38 -0.55 8.40 9.03 2rl1A1 ALA 147 HA 0.03 0.30 1.05 -0.75 4.34 4.96 2rl1A1 ALA 147 HB3 0.05 -0.03 -0.10 -0.04 1.41 1.29 2rl1A1 GLN 148 H 0.02 0.51 0.35 -0.55 8.47 8.80 2rl1A1 GLN 148 HA 0.02 0.31 0.84 -0.75 4.36 4.77 2rl1A1 GLN 148 HB2 0.01 -0.04 -0.04 -0.04 2.15 2.04 2rl1A1 GLN 148 HB3 0.00 -0.03 -0.05 -0.04 2.02 1.90 2rl1A1 GLN 148 HG2 0.01 0.10 -0.02 -0.04 2.40 2.44 2rl1A1 GLN 148 HG3 0.00 -0.10 -0.08 -0.04 2.39 2.17 2rl1A1 GLN 148 HE21 -0.02 0.03 0.02 -0.04 6.97 6.97 2rl1A1 GLN 148 HE22 -0.02 -0.07 0.07 -0.04 7.69 7.63 2rl1A1 VAL 149 H 0.01 0.67 0.25 -0.55 8.24 8.62 2rl1A1 VAL 149 HA -0.04 0.01 0.67 -0.75 4.13 4.02 2rl1A1 VAL 149 HB -0.05 -0.10 -0.24 -0.04 2.12 1.69 2rl1A1 VAL 149 HG13 -0.17 0.02 -0.07 -0.04 0.97 0.71 2rl1A1 VAL 149 HG23 -0.12 0.03 -0.07 -0.04 0.95 0.75 2rl1A1 SER 150 H -0.04 0.10 0.16 -0.55 8.46 8.13 2rl1A1 SER 150 HA 0.00 0.09 0.55 -0.75 4.49 4.38 2rl1A1 SER 150 HB2 -0.03 -0.01 0.13 -0.04 3.95 4.00 2rl1A1 SER 150 HB3 -0.01 -0.01 0.06 -0.04 3.93 3.93 2rl1A1 ASP 151 H -0.12 0.08 -0.05 -0.55 8.40 7.77 2rl1A1 ASP 151 HA -0.07 0.20 0.84 -0.75 4.63 4.86 2rl1A1 ASP 151 HB2 -0.07 0.07 0.02 -0.04 2.71 2.69 2rl1A1 ASP 151 HB3 -0.04 -0.09 0.17 -0.04 2.70 2.70 2rl1A1 ARG 152 H -0.08 0.02 0.14 -0.55 8.46 7.98 2rl1A1 ARG 152 HA -0.23 0.15 0.43 -0.75 4.34 3.92 2rl1A1 ARG 152 HB2 0.03 -0.04 0.18 -0.04 1.90 2.03 2rl1A1 ARG 152 HB3 -0.03 -0.11 0.12 -0.04 1.80 1.74 2rl1A1 ARG 152 HG2 -0.02 0.04 0.11 -0.04 1.67 1.75 2rl1A1 ARG 152 HG3 0.03 0.18 0.21 -0.04 1.67 2.04 2rl1A1 ARG 152 HD2 0.02 -0.05 0.05 -0.04 3.22 3.20 2rl1A1 ARG 152 HD3 -0.00 -0.18 -0.01 -0.04 3.22 2.98 2rl1A1 LEU 153 H -0.08 0.18 0.17 -0.55 8.37 8.09 2rl1A1 LEU 153 HA -0.07 0.13 0.46 -0.75 4.35 4.11 2rl1A1 LEU 153 HB2 -0.03 -0.04 -0.02 -0.04 1.64 1.51 2rl1A1 LEU 153 HB3 -0.03 0.04 0.03 -0.04 1.64 1.64 2rl1A1 LEU 153 HG -0.05 0.10 -0.01 -0.04 1.64 1.64 2rl1A1 LEU 153 HD13 0.00 -0.00 -0.13 -0.04 0.93 0.76 2rl1A1 LEU 153 HD23 -0.04 -0.01 -0.27 -0.04 0.89 0.53 2rl1A1 VAL 154 H -0.03 0.81 0.32 -0.55 8.24 8.79 2rl1A1 VAL 154 HA -0.02 0.10 1.09 -0.75 4.13 4.55 2rl1A1 VAL 154 HB -0.02 0.00 0.10 -0.04 2.12 2.16 2rl1A1 VAL 154 HG13 -0.01 0.02 -0.04 -0.04 0.97 0.90 2rl1A1 VAL 154 HG23 -0.03 -0.00 -0.09 -0.04 0.95 0.78 2rl1A1 GLY 155 H -0.02 0.66 0.04 -0.55 8.43 8.57 2rl1A1 GLY 155 HA2 -0.01 -0.05 0.29 -0.51 4.01 3.72 2rl1A1 GLY 155 HA3 -0.01 -0.03 -0.20 -0.51 4.01 3.25 2rl1A1 THR 156 H -0.01 0.14 0.26 -0.55 8.28 8.12 2rl1A1 THR 156 HA -0.00 0.09 0.61 -0.75 4.39 4.33 2rl1A1 THR 156 HB -0.01 0.18 -0.21 -0.04 4.32 4.24 2rl1A1 THR 156 HG23 -0.00 0.03 -0.21 -0.04 1.22 1.00 2rl1A1 ARG 157 H 0.00 0.14 0.19 -0.55 8.46 8.24 2rl1A1 ARG 157 HA 0.01 0.05 0.71 -0.75 4.34 4.35 2rl1A1 ARG 157 HB2 0.01 0.00 0.18 -0.04 1.90 2.05 2rl1A1 ARG 157 HB3 0.02 -0.02 0.02 -0.04 1.80 1.77 2rl1A1 ARG 157 HG2 0.03 -0.01 0.02 -0.04 1.67 1.67 2rl1A1 ARG 157 HG3 0.01 0.01 0.02 -0.04 1.67 1.68 2rl1A1 ARG 157 HD2 0.02 0.01 0.01 -0.04 3.22 3.21 2rl1A1 ARG 157 HD3 0.01 0.02 0.06 -0.04 3.22 3.27 2rl1A1 ILE 158 H 0.00 0.81 0.45 -0.55 8.25 8.97 2rl1A1 ILE 158 HA 0.00 0.15 0.95 -0.75 4.18 4.52 2rl1A1 ILE 158 HB -0.00 -0.04 0.14 -0.04 1.89 1.95 2rl1A1 ILE 158 HG12 -0.00 0.08 -0.24 -0.04 1.49 1.29 2rl1A1 ILE 158 HG13 -0.00 0.09 -0.59 -0.04 1.21 0.67 2rl1A1 ILE 158 HG23 -0.00 -0.03 -0.15 -0.04 0.93 0.71 2rl1A1 ILE 158 HD13 -0.00 -0.00 -0.10 -0.04 0.88 0.73 2rl1A1 VAL 159 H 0.01 0.22 0.07 -0.55 8.24 7.99 2rl1A1 VAL 159 HA 0.01 0.22 0.99 -0.75 4.13 4.60 2rl1A1 VAL 159 HB 0.01 -0.01 0.12 -0.04 2.12 2.20 2rl1A1 VAL 159 HG13 0.01 -0.01 -0.27 -0.04 0.97 0.66 2rl1A1 VAL 159 HG23 0.02 -0.01 -0.12 -0.04 0.95 0.80 2rl1A1 ILE 160 H 0.00 0.47 0.12 -0.55 8.25 8.29 2rl1A1 ILE 160 HA -0.00 -0.02 0.53 -0.75 4.18 3.93 2rl1A1 ILE 160 HB -0.00 0.15 0.09 -0.04 1.89 2.09 2rl1A1 ILE 160 HG12 -0.01 -0.01 -0.10 -0.04 1.49 1.33 2rl1A1 ILE 160 HG13 -0.00 0.15 -0.01 -0.04 1.21 1.31 2rl1A1 ILE 160 HG23 -0.02 -0.08 0.00 -0.04 0.93 0.80 2rl1A1 ILE 160 HD13 -0.02 -0.04 -0.13 -0.04 0.88 0.65 2rl1A1 GLU 161 H 0.00 0.11 0.19 -0.55 8.60 8.35 2rl1A1 GLU 161 HA 0.00 0.13 0.35 -0.75 4.29 4.01 2rl1A1 GLU 161 HB2 -0.00 -0.00 0.06 -0.04 2.09 2.11 2rl1A1 GLU 161 HB3 0.00 0.06 0.09 -0.04 1.99 2.11 2rl1A1 GLU 161 HG2 0.00 -0.05 0.13 -0.04 2.34 2.38 2rl1A1 GLU 161 HG3 -0.00 -0.04 -0.08 -0.04 2.34 2.18 2rl1A1 LYS 162 H -0.01 0.04 -0.24 -0.55 8.42 7.66 2rl1A1 LYS 162 HA -0.01 0.23 0.88 -0.75 4.32 4.66 2rl1A1 LYS 162 HB2 -0.01 0.08 -0.01 -0.04 1.87 1.88 2rl1A1 LYS 162 HB3 -0.01 -0.11 -0.03 -0.04 1.79 1.60 2rl1A1 LYS 162 HG2 -0.02 -0.15 -0.29 -0.04 1.46 0.97 2rl1A1 LYS 162 HG3 -0.02 0.15 -0.34 -0.04 1.46 1.21 2rl1A1 LYS 162 HD2 -0.02 -0.03 -0.02 -0.04 1.69 1.59 2rl1A1 LYS 162 HD3 -0.04 -0.01 -0.00 -0.04 1.68 1.58 2rl1A1 LYS 162 HE2 -0.04 -0.03 0.10 -0.04 2.99 2.98 2rl1A1 LYS 162 HE3 -0.02 0.03 0.06 -0.04 2.99 3.01 2rl1A1 VAL 163 H -0.02 0.16 0.10 -0.55 8.24 7.94 2rl1A1 VAL 163 HA -0.00 0.30 0.56 -0.75 4.13 4.23 2rl1A1 VAL 163 HB -0.02 -0.05 0.20 -0.04 2.12 2.21 2rl1A1 VAL 163 HG13 0.00 -0.02 -0.09 -0.04 0.97 0.83 2rl1A1 VAL 163 HG23 -0.00 0.06 0.02 -0.04 0.95 0.98 2rl1A1 SER 164 H -0.01 0.35 0.17 -0.55 8.46 8.43 2rl1A1 SER 164 HA -0.01 0.14 0.90 -0.75 4.49 4.77 2rl1A1 SER 164 HB2 -0.01 0.14 -0.16 -0.04 3.95 3.88 2rl1A1 SER 164 HB3 -0.03 0.13 0.04 -0.04 3.93 4.03 2rl1A1 VAL 165 H 0.04 0.21 0.13 -0.55 8.24 8.07 2rl1A1 VAL 165 HA 0.08 0.10 0.46 -0.75 4.13 4.01 2rl1A1 VAL 165 HB 0.13 -0.03 0.17 -0.04 2.12 2.35 2rl1A1 VAL 165 HG13 0.22 0.02 -0.11 -0.04 0.97 1.06 2rl1A1 VAL 165 HG23 0.06 0.00 0.07 -0.04 0.95 1.04 2rl1A1 GLY 166 H 0.12 0.10 0.00 -0.55 8.43 8.11 2rl1A1 GLY 166 HA2 0.66 0.13 0.34 -0.51 4.01 4.62 2rl1A1 GLY 166 HA3 0.16 0.10 0.27 -0.51 4.01 4.03 2rl1A1 ALA 167 H -0.18 0.04 -0.27 -0.55 8.40 7.44 2rl1A1 ALA 167 HA -0.72 0.08 0.36 -0.75 4.34 3.30 2rl1A1 ALA 167 HB3 -0.20 0.04 -0.10 -0.04 1.41 1.10 2rl1A1 THR 168 H -0.01 0.35 -0.28 -0.55 8.28 7.79 2rl1A1 THR 168 HA -0.01 0.09 0.41 -0.75 4.39 4.12 2rl1A1 THR 168 HB 0.03 0.08 0.22 -0.04 4.32 4.62 2rl1A1 THR 168 HG23 -0.00 0.05 -0.05 -0.04 1.22 1.18 2rl1A1 LEU 169 H 0.12 0.32 -0.28 -0.55 8.37 7.98 2rl1A1 LEU 169 HA -0.05 0.10 0.51 -0.75 4.35 4.15 2rl1A1 LEU 169 HB2 0.26 0.04 0.13 -0.04 1.64 2.03 2rl1A1 LEU 169 HB3 -0.51 0.03 -0.05 -0.04 1.64 1.07 2rl1A1 LEU 169 HG -0.02 -0.04 -0.05 -0.04 1.64 1.49 2rl1A1 LEU 169 HD13 -0.15 -0.04 -0.11 -0.04 0.93 0.59 2rl1A1 LEU 169 HD23 -0.22 0.01 -0.03 -0.04 0.89 0.62 2rl1A1 SER 170 H 0.20 0.41 -0.05 -0.55 8.46 8.47 2rl1A1 SER 170 HA 0.19 0.08 0.42 -0.75 4.49 4.43 2rl1A1 SER 170 HB2 0.10 -0.02 0.17 -0.04 3.95 4.16 2rl1A1 SER 170 HB3 0.20 0.04 -0.04 -0.04 3.93 4.09 2rl1A1 ILE 171 H 0.02 0.46 -0.11 -0.55 8.25 8.07 2rl1A1 ILE 171 HA 0.02 0.06 0.23 -0.75 4.18 3.75 2rl1A1 ILE 171 HB -0.01 0.04 0.05 -0.04 1.89 1.93 2rl1A1 ILE 171 HG12 0.01 -0.03 -0.08 -0.04 1.49 1.35 2rl1A1 ILE 171 HG13 -0.01 0.05 0.11 -0.04 1.21 1.32 2rl1A1 ILE 171 HG23 -0.01 0.02 -0.20 -0.04 0.93 0.70 2rl1A1 ILE 171 HD13 -0.02 -0.01 -0.06 -0.04 0.88 0.75 2rl1A1 MET 172 H -0.01 0.37 -0.30 -0.55 8.47 7.98 2rl1A1 MET 172 HA -0.02 0.03 0.30 -0.75 4.52 4.07 2rl1A1 MET 172 HB2 -0.03 0.06 0.09 -0.04 2.15 2.23 2rl1A1 MET 172 HB3 -0.04 0.01 0.07 -0.04 2.03 2.03 2rl1A1 MET 172 HG2 -0.04 0.04 -0.26 -0.04 2.63 2.33 2rl1A1 MET 172 HG3 -0.03 -0.02 -0.08 -0.04 2.56 2.39 2rl1A1 MET 172 HE3 -0.05 0.02 -0.13 -0.04 2.10 1.89 2rl1A1 MET 173 H -0.02 0.49 -0.27 -0.55 8.47 8.12 2rl1A1 MET 173 HA -0.02 -0.00 0.30 -0.75 4.52 4.04 2rl1A1 MET 173 HB2 0.02 0.12 0.16 -0.04 2.15 2.40 2rl1A1 MET 173 HB3 0.02 0.01 -0.11 -0.04 2.03 1.91 2rl1A1 MET 173 HG2 -0.04 -0.04 0.00 -0.04 2.63 2.51 2rl1A1 MET 173 HG3 -0.11 0.10 0.06 -0.04 2.56 2.57 2rl1A1 MET 173 HE3 -0.61 -0.07 -0.07 -0.04 2.10 1.31 2rl1A1 ALA 174 H 0.02 0.48 -0.18 -0.55 8.40 8.18 2rl1A1 ALA 174 HA 0.02 0.08 0.27 -0.75 4.34 3.96 2rl1A1 ALA 174 HB3 0.03 -0.01 -0.02 -0.04 1.41 1.37 2rl1A1 ALA 175 H -0.00 0.50 -0.35 -0.55 8.40 8.00 2rl1A1 ALA 175 HA -0.01 0.01 0.28 -0.75 4.34 3.87 2rl1A1 ALA 175 HB3 -0.02 -0.01 0.01 -0.04 1.41 1.35 2rl1A1 THR 176 H -0.02 0.45 -0.42 -0.55 8.28 7.74 2rl1A1 THR 176 HA -0.03 -0.04 0.26 -0.75 4.39 3.83 2rl1A1 THR 176 HB -0.04 -0.08 0.00 -0.04 4.32 4.16 2rl1A1 THR 176 HG23 -0.03 0.03 -0.02 -0.04 1.22 1.15 2rl1A1 LEU 177 H -0.02 0.31 -0.40 -0.55 8.37 7.72 2rl1A1 LEU 177 HA -0.02 0.43 0.97 -0.75 4.35 4.97 2rl1A1 LEU 177 HB2 -0.02 -0.08 -0.03 -0.04 1.64 1.47 2rl1A1 LEU 177 HB3 -0.01 0.08 0.09 -0.04 1.64 1.77 2rl1A1 LEU 177 HG -0.04 0.22 -0.04 -0.04 1.64 1.74 2rl1A1 LEU 177 HD13 -0.04 -0.02 -0.31 -0.04 0.93 0.52 2rl1A1 LEU 177 HD23 -0.08 0.01 -0.09 -0.04 0.89 0.69 2rl1A1 ALA 178 H -0.02 0.18 -0.22 -0.55 8.40 7.80 2rl1A1 ALA 178 HA -0.02 0.11 0.49 -0.75 4.34 4.17 2rl1A1 ALA 178 HB3 -0.02 -0.02 -0.26 -0.04 1.41 1.06 2rl1A1 LYS 179 H -0.02 0.92 0.30 -0.55 8.42 9.06 2rl1A1 LYS 179 HA -0.01 0.10 0.60 -0.75 4.32 4.25 2rl1A1 LYS 179 HB2 -0.02 0.06 0.10 -0.04 1.87 1.97 2rl1A1 LYS 179 HB3 -0.02 -0.02 0.19 -0.04 1.79 1.90 2rl1A1 LYS 179 HG2 -0.01 -0.04 0.00 -0.04 1.46 1.37 2rl1A1 LYS 179 HG3 -0.01 -0.05 -0.14 -0.04 1.46 1.21 2rl1A1 LYS 179 HD2 -0.01 -0.00 0.08 -0.04 1.69 1.72 2rl1A1 LYS 179 HD3 -0.01 0.04 0.00 -0.04 1.68 1.68 2rl1A1 LYS 179 HE2 -0.01 -0.05 0.00 -0.04 2.99 2.90 2rl1A1 LYS 179 HE3 -0.01 -0.00 0.01 -0.04 2.99 2.95 2rl1A1 GLY 180 H -0.01 0.18 0.19 -0.55 8.43 8.23 2rl1A1 GLY 180 HA2 -0.01 -0.02 0.36 -0.51 4.01 3.83 2rl1A1 GLY 180 HA3 -0.01 0.14 0.72 -0.51 4.01 4.35 2rl1A1 THR 181 H -0.01 0.15 0.16 -0.55 8.28 8.04 2rl1A1 THR 181 HA -0.02 0.38 1.25 -0.75 4.39 5.24 2rl1A1 THR 181 HB -0.01 -0.07 0.04 -0.04 4.32 4.24 2rl1A1 THR 181 HG23 -0.02 -0.00 -0.25 -0.04 1.22 0.91 2rl1A1 THR 182 H -0.03 0.71 0.38 -0.55 8.28 8.79 2rl1A1 THR 182 HA -0.02 0.19 0.92 -0.75 4.39 4.73 2rl1A1 THR 182 HB -0.03 -0.02 0.08 -0.04 4.32 4.31 2rl1A1 THR 182 HG23 -0.02 0.03 -0.09 -0.04 1.22 1.10 2rl1A1 VAL 183 H -0.02 0.52 0.21 -0.55 8.24 8.40 2rl1A1 VAL 183 HA -0.11 0.40 1.08 -0.75 4.13 4.75 2rl1A1 VAL 183 HB 0.01 -0.12 0.14 -0.04 2.12 2.11 2rl1A1 VAL 183 HG13 -0.03 -0.01 -0.18 -0.04 0.97 0.71 2rl1A1 VAL 183 HG23 -0.01 0.01 -0.26 -0.04 0.95 0.64 2rl1A1 ILE 184 H -0.10 0.60 0.24 -0.55 8.25 8.44 2rl1A1 ILE 184 HA -0.01 0.33 1.10 -0.75 4.18 4.85 2rl1A1 ILE 184 HB -0.04 -0.09 0.19 -0.04 1.89 1.91 2rl1A1 ILE 184 HG12 -0.02 -0.04 -0.08 -0.04 1.49 1.31 2rl1A1 ILE 184 HG13 -0.02 0.07 -0.09 -0.04 1.21 1.13 2rl1A1 ILE 184 HG23 -0.01 -0.02 -0.11 -0.04 0.93 0.74 2rl1A1 ILE 184 HD13 -0.04 -0.03 -0.31 -0.04 0.88 0.46 2rl1A1 GLU 185 H 0.02 0.60 0.32 -0.55 8.60 9.00 2rl1A1 GLU 185 HA 0.10 0.18 0.87 -0.75 4.29 4.70 2rl1A1 GLU 185 HB2 0.04 -0.05 0.06 -0.04 2.09 2.10 2rl1A1 GLU 185 HB3 0.06 -0.01 0.07 -0.04 1.99 2.07 2rl1A1 GLU 185 HG2 0.07 0.04 -0.12 -0.04 2.34 2.29 2rl1A1 GLU 185 HG3 0.06 -0.00 -0.07 -0.04 2.34 2.29 2rl1A1 ASN 186 H 0.05 0.29 0.31 -0.55 8.53 8.63 2rl1A1 ASN 186 HA 0.02 -0.03 0.36 -0.75 4.76 4.36 2rl1A1 ASN 186 HB2 0.01 -0.11 -0.21 -0.04 2.88 2.53 2rl1A1 ASN 186 HB3 0.01 0.23 0.27 -0.04 2.79 3.27 2rl1A1 ASN 186 HD21 -0.00 -0.14 -0.25 -0.04 7.03 6.60 2rl1A1 ASN 186 HD22 0.00 0.58 0.02 -0.04 7.74 8.30 2rl1A1 ALA 187 H 0.03 0.38 -0.21 -0.55 8.40 8.05 2rl1A1 ALA 187 HA 0.01 -0.05 0.34 -0.75 4.34 3.88 2rl1A1 ALA 187 HB3 0.01 0.03 -0.04 -0.04 1.41 1.37 2rl1A1 ALA 188 H 0.01 0.05 0.15 -0.55 8.40 8.07 2rl1A1 ALA 188 HA 0.03 0.10 0.45 -0.75 4.34 4.16 2rl1A1 ALA 188 HB3 0.03 -0.06 -0.11 -0.04 1.41 1.23 2rl1A1 ARG 189 H 0.06 0.09 0.09 -0.55 8.46 8.15 2rl1A1 ARG 189 HA 0.05 0.23 0.71 -0.75 4.34 4.57 2rl1A1 ARG 189 HB2 0.12 0.05 -0.11 -0.04 1.90 1.92 2rl1A1 ARG 189 HB3 0.13 0.15 0.04 -0.04 1.80 2.08 2rl1A1 ARG 189 HG2 0.05 0.14 -0.30 -0.04 1.67 1.52 2rl1A1 ARG 189 HG3 0.04 0.09 -0.64 -0.04 1.67 1.12 2rl1A1 ARG 189 HD2 0.03 0.06 -0.00 -0.04 3.22 3.27 2rl1A1 ARG 189 HD3 0.02 -0.08 -0.05 -0.04 3.22 3.07 2rl1A1 GLU 190 H 0.04 -0.05 -0.05 -0.55 8.60 8.00 2rl1A1 GLU 190 HA -0.27 0.13 0.39 -0.75 4.29 3.79 2rl1A1 GLU 190 HB2 0.00 0.02 0.09 -0.04 2.09 2.16 2rl1A1 GLU 190 HB3 -0.06 -0.15 0.03 -0.04 1.99 1.77 2rl1A1 GLU 190 HG2 0.02 -0.02 0.08 -0.04 2.34 2.38 2rl1A1 GLU 190 HG3 -0.05 0.08 0.14 -0.04 2.34 2.47 2rl1A1 PRO 191 HA -0.08 0.19 0.49 -0.51 4.44 4.53 2rl1A1 PRO 191 HB2 -0.12 -0.06 0.08 -0.04 2.28 2.15 2rl1A1 PRO 191 HB3 -0.08 0.10 0.13 -0.04 2.02 2.13 2rl1A1 PRO 191 HG2 -0.32 0.07 0.19 -0.04 2.03 1.93 2rl1A1 PRO 191 HG3 -0.37 0.18 0.16 -0.04 2.03 1.95 2rl1A1 PRO 191 HD2 -0.36 -0.01 0.27 -0.04 3.68 3.54 2rl1A1 PRO 191 HD3 -1.24 0.17 0.26 -0.04 3.65 2.79 2rl1A1 GLU 192 H -0.07 0.07 -0.25 -0.55 8.60 7.80 2rl1A1 GLU 192 HA -0.03 0.09 0.45 -0.75 4.29 4.05 2rl1A1 GLU 192 HB2 -0.00 -0.03 -0.05 -0.04 2.09 1.96 2rl1A1 GLU 192 HB3 -0.02 0.24 -0.02 -0.04 1.99 2.15 2rl1A1 GLU 192 HG2 0.02 -0.07 -0.36 -0.04 2.34 1.88 2rl1A1 GLU 192 HG3 -0.01 0.00 -0.19 -0.04 2.34 2.09 2rl1A1 ILE 193 H -0.04 0.29 -0.40 -0.55 8.25 7.56 2rl1A1 ILE 193 HA -0.06 0.09 0.43 -0.75 4.18 3.89 2rl1A1 ILE 193 HB -0.01 0.25 -0.08 -0.04 1.89 2.01 2rl1A1 ILE 193 HG12 -0.00 0.05 -0.06 -0.04 1.49 1.43 2rl1A1 ILE 193 HG13 0.01 -0.20 -0.07 -0.04 1.21 0.91 2rl1A1 ILE 193 HG23 -0.02 0.03 -0.15 -0.04 0.93 0.75 2rl1A1 ILE 193 HD13 0.03 -0.03 -0.13 -0.04 0.88 0.70 2rl1A1 VAL 194 H -0.02 0.23 -0.25 -0.55 8.24 7.65 2rl1A1 VAL 194 HA -0.00 0.05 0.28 -0.75 4.13 3.71 2rl1A1 VAL 194 HB -0.01 0.10 0.14 -0.04 2.12 2.32 2rl1A1 VAL 194 HG13 0.02 0.01 -0.15 -0.04 0.97 0.81 2rl1A1 VAL 194 HG23 0.01 0.05 -0.18 -0.04 0.95 0.78 2rl1A1 ASP 195 H -0.00 0.37 -0.19 -0.55 8.40 8.03 2rl1A1 ASP 195 HA 0.08 0.09 0.38 -0.75 4.63 4.43 2rl1A1 ASP 195 HB2 0.03 0.06 0.15 -0.04 2.71 2.91 2rl1A1 ASP 195 HB3 0.02 0.04 0.09 -0.04 2.70 2.80 2rl1A1 THR 196 H -0.04 0.42 -0.24 -0.55 8.28 7.87 2rl1A1 THR 196 HA -0.07 0.05 0.40 -0.75 4.39 4.01 2rl1A1 THR 196 HB -0.10 0.06 0.09 -0.04 4.32 4.33 2rl1A1 THR 196 HG23 -0.11 0.01 -0.19 -0.04 1.22 0.89 2rl1A1 ALA 197 H -0.02 0.46 -0.26 -0.55 8.40 8.03 2rl1A1 ALA 197 HA -0.02 0.04 0.34 -0.75 4.34 3.95 2rl1A1 ALA 197 HB3 -0.02 0.03 0.04 -0.04 1.41 1.42 2rl1A1 ASP 198 H 0.02 0.42 -0.26 -0.55 8.40 8.03 2rl1A1 ASP 198 HA 0.01 0.06 0.43 -0.75 4.63 4.37 2rl1A1 ASP 198 HB2 0.13 0.06 0.12 -0.04 2.71 2.99 2rl1A1 ASP 198 HB3 0.12 -0.02 -0.00 -0.04 2.70 2.76 2rl1A1 PHE 199 H -0.00 0.44 -0.26 -0.55 8.34 7.97 2rl1A1 PHE 199 HA -0.35 0.01 0.36 -0.75 4.62 3.88 2rl1A1 PHE 199 HB2 -0.88 -0.06 0.04 -0.04 3.15 2.21 2rl1A1 PHE 199 HB3 -0.29 0.14 0.19 -0.04 3.06 3.06 2rl1A1 PHE 199 HD2 -0.24 -0.02 -0.13 -0.04 7.28 6.85 2rl1A1 PHE 199 HE2 -0.06 -0.01 -0.24 -0.04 7.38 7.04 2rl1A1 PHE 199 HZ -0.05 0.02 -0.14 -0.04 7.32 7.12 2rl1A1 LEU 200 H -0.01 0.60 -0.12 -0.55 8.37 8.29 2rl1A1 LEU 200 HA -0.37 0.07 0.29 -0.75 4.35 3.59 2rl1A1 LEU 200 HB2 -0.05 0.04 0.07 -0.04 1.64 1.66 2rl1A1 LEU 200 HB3 -0.08 -0.02 -0.06 -0.04 1.64 1.43 2rl1A1 LEU 200 HG 0.08 0.04 -0.03 -0.04 1.64 1.69 2rl1A1 LEU 200 HD13 -0.02 -0.02 -0.14 -0.04 0.93 0.71 2rl1A1 LEU 200 HD23 -0.04 0.01 -0.08 -0.04 0.89 0.74 2rl1A1 ASN 201 H -0.08 0.49 -0.29 -0.55 8.53 8.10 2rl1A1 ASN 201 HA -0.07 0.06 0.40 -0.75 4.76 4.39 2rl1A1 ASN 201 HB2 -0.03 0.08 0.16 -0.04 2.88 3.05 2rl1A1 ASN 201 HB3 -0.03 -0.01 0.01 -0.04 2.79 2.71 2rl1A1 ASN 201 HD21 -0.02 0.25 0.09 -0.04 7.03 7.32 2rl1A1 ASN 201 HD22 -0.01 -0.08 -0.00 -0.04 7.74 7.61 2rl1A1 LYS 202 H -0.12 0.45 -0.27 -0.55 8.42 7.91 2rl1A1 LYS 202 HA -0.05 0.01 0.44 -0.75 4.32 3.97 2rl1A1 LYS 202 HB2 -0.14 0.15 0.06 -0.04 1.87 1.90 2rl1A1 LYS 202 HB3 -0.04 -0.08 0.15 -0.04 1.79 1.78 2rl1A1 LYS 202 HG2 0.02 -0.08 0.08 -0.04 1.46 1.44 2rl1A1 LYS 202 HG3 0.01 0.36 0.13 -0.04 1.46 1.92 2rl1A1 LYS 202 HD2 0.22 -0.03 -0.00 -0.04 1.69 1.83 2rl1A1 LYS 202 HD3 0.12 0.02 0.10 -0.04 1.68 1.87 2rl1A1 LYS 202 HE2 0.12 -0.03 0.01 -0.04 2.99 3.06 2rl1A1 LYS 202 HE3 0.29 -0.02 -0.13 -0.04 2.99 3.08 2rl1A1 MET 203 H -0.21 0.31 -0.75 -0.55 8.47 7.28 2rl1A1 MET 203 HA -0.13 0.25 0.90 -0.75 4.52 4.79 2rl1A1 MET 203 HB2 -0.27 0.13 -0.01 -0.04 2.15 1.96 2rl1A1 MET 203 HB3 -0.17 -0.16 -0.04 -0.04 2.03 1.61 2rl1A1 MET 203 HG2 -0.27 0.01 -0.52 -0.04 2.63 1.81 2rl1A1 MET 203 HG3 -0.64 0.16 -0.26 -0.04 2.56 1.78 2rl1A1 MET 203 HE3 -0.51 0.00 -0.24 -0.04 2.10 1.30 2rl1A1 GLY 204 H -0.09 0.49 -0.14 -0.55 8.43 8.15 2rl1A1 GLY 204 HA2 -0.05 -0.02 0.37 -0.51 4.01 3.80 2rl1A1 GLY 204 HA3 -0.06 0.15 0.96 -0.51 4.01 4.55 2rl1A1 ALA 205 H -0.09 0.31 0.06 -0.55 8.40 8.13 2rl1A1 ALA 205 HA -0.05 0.19 0.40 -0.75 4.34 4.12 2rl1A1 ALA 205 HB3 -0.07 -0.06 -0.25 -0.04 1.41 0.99 2rl1A1 LYS 206 H -0.04 0.18 -0.01 -0.55 8.42 8.00 2rl1A1 LYS 206 HA -0.03 0.14 0.76 -0.75 4.32 4.44 2rl1A1 LYS 206 HB2 -0.03 0.16 0.28 -0.04 1.87 2.24 2rl1A1 LYS 206 HB3 -0.02 -0.10 0.15 -0.04 1.79 1.77 2rl1A1 LYS 206 HG2 -0.02 -0.04 -0.02 -0.04 1.46 1.34 2rl1A1 LYS 206 HG3 -0.03 0.17 -0.48 -0.04 1.46 1.08 2rl1A1 LYS 206 HD2 -0.02 0.20 0.01 -0.04 1.69 1.83 2rl1A1 LYS 206 HD3 -0.02 -0.13 0.02 -0.04 1.68 1.51 2rl1A1 LYS 206 HE2 -0.02 -0.08 0.01 -0.04 2.99 2.86 2rl1A1 LYS 206 HE3 -0.02 0.14 0.01 -0.04 2.99 3.08 2rl1A1 ILE 207 H -0.03 0.22 -0.00 -0.55 8.25 7.88 2rl1A1 ILE 207 HA -0.04 0.37 1.07 -0.75 4.18 4.83 2rl1A1 ILE 207 HB -0.03 -0.00 0.06 -0.04 1.89 1.88 2rl1A1 ILE 207 HG12 -0.04 0.07 -0.13 -0.04 1.49 1.35 2rl1A1 ILE 207 HG13 -0.04 -0.14 -0.23 -0.04 1.21 0.76 2rl1A1 ILE 207 HG23 -0.03 -0.03 -0.15 -0.04 0.93 0.67 2rl1A1 ILE 207 HD13 -0.04 0.02 -0.08 -0.04 0.88 0.74 2rl1A1 THR 208 H -0.04 0.74 0.43 -0.55 8.28 8.86 2rl1A1 THR 208 HA -0.01 0.15 0.88 -0.75 4.39 4.65 2rl1A1 THR 208 HB -0.00 -0.05 0.09 -0.04 4.32 4.31 2rl1A1 THR 208 HG23 -0.01 0.01 -0.18 -0.04 1.22 1.01 2rl1A1 GLY 209 H 0.00 0.19 0.15 -0.55 8.43 8.23 2rl1A1 GLY 209 HA2 0.02 0.01 0.35 -0.51 4.01 3.88 2rl1A1 GLY 209 HA3 -0.01 0.34 0.74 -0.51 4.01 4.56 2rl1A1 ALA 210 H -0.01 0.07 -0.38 -0.55 8.40 7.53 2rl1A1 ALA 210 HA -0.00 0.06 0.31 -0.75 4.34 3.95 2rl1A1 ALA 210 HB3 -0.01 0.01 -0.06 -0.04 1.41 1.31 2rl1A1 GLY 211 H 0.02 0.22 0.11 -0.55 8.43 8.22 2rl1A1 GLY 211 HA2 0.04 0.08 0.35 -0.51 4.01 3.96 2rl1A1 GLY 211 HA3 0.03 0.14 0.77 -0.51 4.01 4.45 2rl1A1 SER 212 H 0.03 0.59 -0.15 -0.55 8.46 8.38 2rl1A1 SER 212 HA 0.04 0.15 0.79 -0.75 4.49 4.72 2rl1A1 SER 212 HB2 0.05 -0.08 0.15 -0.04 3.95 4.02 2rl1A1 SER 212 HB3 0.04 0.01 -0.02 -0.04 3.93 3.92 2rl1A1 ALA 213 H 0.05 0.14 0.11 -0.55 8.40 8.16 2rl1A1 ALA 213 HA 0.04 0.34 0.55 -0.75 4.34 4.51 2rl1A1 ALA 213 HB3 0.03 -0.02 0.11 -0.04 1.41 1.49 2rl1A1 HIS 214 H 0.11 0.10 -0.43 -0.55 8.41 7.64 2rl1A1 HIS 214 HA 0.00 0.24 0.92 -0.75 4.63 5.04 2rl1A1 HIS 214 HB2 0.00 -0.04 -0.09 -0.04 3.26 3.09 2rl1A1 HIS 214 HB3 0.00 -0.03 0.12 -0.04 3.20 3.24 2rl1A1 HIS 214 HD2 -0.00 -0.03 -0.08 -0.04 6.97 6.82 2rl1A1 HIS 214 HE1 -0.00 0.00 -0.12 -0.04 7.75 7.59 2rl1A1 ILE 215 H -0.11 0.59 0.17 -0.55 8.25 8.35 2rl1A1 ILE 215 HA -0.11 0.23 0.91 -0.75 4.18 4.45 2rl1A1 ILE 215 HB -0.07 -0.10 0.09 -0.04 1.89 1.77 2rl1A1 ILE 215 HG12 -0.02 0.04 -0.12 -0.04 1.49 1.34 2rl1A1 ILE 215 HG13 -0.03 -0.05 -0.09 -0.04 1.21 1.00 2rl1A1 ILE 215 HG23 -0.05 0.01 -0.20 -0.04 0.93 0.64 2rl1A1 ILE 215 HD13 -0.02 0.01 -0.50 -0.04 0.88 0.33 2rl1A1 THR 216 H -0.12 0.69 0.35 -0.55 8.28 8.66 2rl1A1 THR 216 HA -0.13 0.30 1.11 -0.75 4.39 4.91 2rl1A1 THR 216 HB -0.07 -0.07 0.10 -0.04 4.32 4.24 2rl1A1 THR 216 HG23 -0.04 0.02 -0.12 -0.04 1.22 1.03 2rl1A1 ILE 217 H -0.06 0.72 0.32 -0.55 8.25 8.68 2rl1A1 ILE 217 HA -0.04 0.33 1.12 -0.75 4.18 4.84 2rl1A1 ILE 217 HB -0.04 -0.06 0.05 -0.04 1.89 1.80 2rl1A1 ILE 217 HG12 -0.04 -0.01 -0.18 -0.04 1.49 1.22 2rl1A1 ILE 217 HG13 -0.05 -0.18 -0.75 -0.04 1.21 0.19 2rl1A1 ILE 217 HG23 -0.03 0.02 -0.42 -0.04 0.93 0.45 2rl1A1 ILE 217 HD13 -0.04 0.00 -0.16 -0.04 0.88 0.64 2rl1A1 GLU 218 H -0.03 0.60 0.24 -0.55 8.60 8.86 2rl1A1 GLU 218 HA -0.02 0.09 0.92 -0.75 4.29 4.52 2rl1A1 GLU 218 HB2 -0.02 -0.11 0.03 -0.04 2.09 1.95 2rl1A1 GLU 218 HB3 -0.02 -0.00 0.23 -0.04 1.99 2.15 2rl1A1 GLU 218 HG2 -0.02 0.23 -0.15 -0.04 2.34 2.35 2rl1A1 GLU 218 HG3 -0.01 -0.04 -0.03 -0.04 2.34 2.21 2rl1A1 GLY 219 H -0.02 0.50 0.23 -0.55 8.43 8.59 2rl1A1 GLY 219 HA2 -0.02 -0.01 0.27 -0.51 4.01 3.73 2rl1A1 GLY 219 HA3 -0.02 0.54 0.33 -0.51 4.01 4.35 2rl1A1 VAL 220 H -0.02 0.65 0.27 -0.55 8.24 8.59 2rl1A1 VAL 220 HA -0.02 0.06 0.88 -0.75 4.13 4.30 2rl1A1 VAL 220 HB -0.03 -0.15 0.16 -0.04 2.12 2.06 2rl1A1 VAL 220 HG13 -0.03 0.07 -0.06 -0.04 0.97 0.91 2rl1A1 VAL 220 HG23 -0.04 0.06 -0.15 -0.04 0.95 0.78 2rl1A1 GLU 221 H -0.02 0.05 0.17 -0.55 8.60 8.26 2rl1A1 GLU 221 HA -0.01 0.13 0.49 -0.75 4.29 4.14 2rl1A1 GLU 221 HB2 -0.02 0.03 0.02 -0.04 2.09 2.08 2rl1A1 GLU 221 HB3 -0.01 -0.03 0.13 -0.04 1.99 2.04 2rl1A1 GLU 221 HG2 -0.02 0.01 0.19 -0.04 2.34 2.48 2rl1A1 GLU 221 HG3 -0.01 -0.03 0.09 -0.04 2.34 2.35 2rl1A1 ARG 222 H -0.03 0.14 0.07 -0.55 8.46 8.09 2rl1A1 ARG 222 HA -0.05 0.20 0.55 -0.75 4.34 4.29 2rl1A1 ARG 222 HB2 -0.05 0.10 0.12 -0.04 1.90 2.03 2rl1A1 ARG 222 HB3 -0.05 0.13 -0.01 -0.04 1.80 1.83 2rl1A1 ARG 222 HG2 -0.03 -0.11 -0.12 -0.04 1.67 1.38 2rl1A1 ARG 222 HG3 -0.03 -0.03 -0.11 -0.04 1.67 1.45 2rl1A1 ARG 222 HD2 -0.02 -0.09 -0.04 -0.04 3.22 3.03 2rl1A1 ARG 222 HD3 -0.02 0.03 -0.08 -0.04 3.22 3.11 2rl1A1 LEU 223 H -0.06 0.31 0.19 -0.55 8.37 8.26 2rl1A1 LEU 223 HA -0.06 0.24 0.90 -0.75 4.35 4.67 2rl1A1 LEU 223 HB2 -0.07 0.16 -0.09 -0.04 1.64 1.59 2rl1A1 LEU 223 HB3 -0.10 -0.06 -0.07 -0.04 1.64 1.37 2rl1A1 LEU 223 HG -0.06 0.03 -0.20 -0.04 1.64 1.37 2rl1A1 LEU 223 HD13 -0.08 -0.03 -0.13 -0.04 0.93 0.65 2rl1A1 LEU 223 HD23 -0.07 0.01 -0.35 -0.04 0.89 0.44 2rl1A1 THR 224 H -0.07 0.68 0.29 -0.55 8.28 8.63 2rl1A1 THR 224 HA -0.03 0.10 0.82 -0.75 4.39 4.53 2rl1A1 THR 224 HB -0.03 -0.05 0.17 -0.04 4.32 4.37 2rl1A1 THR 224 HG23 -0.03 0.01 -0.02 -0.04 1.22 1.14 2rl1A1 GLY 225 H -0.06 0.29 0.28 -0.55 8.43 8.40 2rl1A1 GLY 225 HA2 -0.07 0.07 0.47 -0.51 4.01 3.97 2rl1A1 GLY 225 HA3 -0.02 0.20 0.22 -0.51 4.01 3.90 2rl1A1 CYS 226 H 0.01 0.33 0.35 -0.55 8.50 8.64 2rl1A1 CYS 226 HA -0.00 0.06 0.44 -0.75 4.58 4.32 2rl1A1 CYS 226 HB2 -0.01 -0.06 0.18 -0.04 2.97 3.05 2rl1A1 CYS 226 HB3 -0.10 0.34 -0.38 -0.04 2.97 2.78 2rl1A1 GLU 227 H 0.06 0.28 0.24 -0.55 8.60 8.63 2rl1A1 GLU 227 HA 0.10 0.21 1.06 -0.75 4.29 4.91 2rl1A1 GLU 227 HB2 0.04 -0.00 0.03 -0.04 2.09 2.12 2rl1A1 GLU 227 HB3 0.04 -0.02 0.11 -0.04 1.99 2.08 2rl1A1 GLU 227 HG2 0.04 -0.03 -0.14 -0.04 2.34 2.17 2rl1A1 GLU 227 HG3 0.05 0.01 0.05 -0.04 2.34 2.41 2rl1A1 HIS 228 H 0.17 0.76 0.42 -0.55 8.41 9.21 2rl1A1 HIS 228 HA 0.07 0.14 0.84 -0.75 4.63 4.93 2rl1A1 HIS 228 HB2 0.31 0.10 -0.29 -0.04 3.26 3.34 2rl1A1 HIS 228 HB3 0.16 -0.04 -0.05 -0.04 3.20 3.23 2rl1A1 HIS 228 HD2 -0.06 -0.11 -0.38 -0.04 6.97 6.37 2rl1A1 HIS 228 HE1 0.06 -0.03 -0.06 -0.04 7.75 7.68 2rl1A1 SER 229 H -0.44 0.24 0.10 -0.55 8.46 7.81 2rl1A1 SER 229 HA -0.10 0.07 0.80 -0.75 4.49 4.51 2rl1A1 SER 229 HB2 -0.09 -0.01 -0.02 -0.04 3.95 3.79 2rl1A1 SER 229 HB3 -0.17 0.01 0.09 -0.04 3.93 3.82 2rl1A1 VAL 230 H -0.05 0.54 0.14 -0.55 8.24 8.32 2rl1A1 VAL 230 HA 0.03 -0.01 0.33 -0.75 4.13 3.72 2rl1A1 VAL 230 HB -0.01 0.14 0.02 -0.04 2.12 2.22 2rl1A1 VAL 230 HG13 -0.00 0.01 -0.09 -0.04 0.97 0.84 2rl1A1 VAL 230 HG23 0.00 0.04 -0.08 -0.04 0.95 0.87 2rl1A1 VAL 231 H 0.03 0.03 0.15 -0.55 8.24 7.90 2rl1A1 VAL 231 HA -0.02 0.18 0.41 -0.75 4.13 3.95 2rl1A1 VAL 231 HB 0.02 0.06 0.13 -0.04 2.12 2.29 2rl1A1 VAL 231 HG13 0.01 -0.04 -0.00 -0.04 0.97 0.89 2rl1A1 VAL 231 HG23 -0.00 0.04 -0.02 -0.04 0.95 0.93 2rl1A1 PRO 232 HA 0.01 0.25 0.37 -0.51 4.44 4.56 2rl1A1 PRO 232 HB2 0.01 -0.22 -0.05 -0.04 2.28 1.98 2rl1A1 PRO 232 HB3 0.02 0.25 0.09 -0.04 2.02 2.34 2rl1A1 PRO 232 HG2 0.01 0.02 -0.30 -0.04 2.03 1.71 2rl1A1 PRO 232 HG3 0.00 0.22 -0.02 -0.04 2.03 2.19 2rl1A1 PRO 232 HD2 -0.00 -0.01 0.14 -0.04 3.68 3.77 2rl1A1 PRO 232 HD3 -0.01 0.22 0.15 -0.04 3.65 3.97 2rl1A1 ASP 233 H 0.03 0.72 0.17 -0.55 8.40 8.77 2rl1A1 ASP 233 HA 0.00 -0.02 0.65 -0.75 4.63 4.51 2rl1A1 ASP 233 HB2 0.02 0.28 -0.39 -0.04 2.71 2.57 2rl1A1 ASP 233 HB3 0.05 0.01 0.15 -0.04 2.70 2.87 2rl1A1 ARG 234 H -0.00 0.24 0.21 -0.55 8.46 8.35 2rl1A1 ARG 234 HA 0.03 0.14 0.34 -0.75 4.34 4.10 2rl1A1 ARG 234 HB2 0.00 0.08 -0.03 -0.04 1.90 1.92 2rl1A1 ARG 234 HB3 -0.01 0.08 0.09 -0.04 1.80 1.92 2rl1A1 ARG 234 HG2 -0.02 -0.21 0.15 -0.04 1.67 1.55 2rl1A1 ARG 234 HG3 -0.02 0.01 -0.09 -0.04 1.67 1.52 2rl1A1 ARG 234 HD2 -0.05 0.24 0.12 -0.04 3.22 3.48 2rl1A1 ARG 234 HD3 -0.07 0.04 0.11 -0.04 3.22 3.25 2rl1A1 ILE 235 H -0.00 0.02 -0.15 -0.55 8.25 7.57 2rl1A1 ILE 235 HA 0.01 0.15 0.45 -0.75 4.18 4.03 2rl1A1 ILE 235 HB -0.02 -0.07 0.07 -0.04 1.89 1.82 2rl1A1 ILE 235 HG12 -0.01 -0.03 -0.02 -0.04 1.49 1.39 2rl1A1 ILE 235 HG13 -0.01 0.06 -0.11 -0.04 1.21 1.11 2rl1A1 ILE 235 HG23 0.02 0.05 -0.14 -0.04 0.93 0.82 2rl1A1 ILE 235 HD13 -0.02 -0.04 -0.00 -0.04 0.88 0.79 2rl1A1 GLU 236 H 0.04 0.05 -0.20 -0.55 8.60 7.95 2rl1A1 GLU 236 HA 0.09 0.12 0.49 -0.75 4.29 4.24 2rl1A1 GLU 236 HB2 0.09 -0.05 0.12 -0.04 2.09 2.22 2rl1A1 GLU 236 HB3 0.13 0.10 0.11 -0.04 1.99 2.28 2rl1A1 GLU 236 HG2 0.47 0.06 -0.17 -0.04 2.34 2.66 2rl1A1 GLU 236 HG3 0.26 0.02 0.05 -0.04 2.34 2.63 2rl1A1 THR 237 H 0.09 0.38 -0.21 -0.55 8.28 7.99 2rl1A1 THR 237 HA 0.20 0.08 0.29 -0.75 4.39 4.21 2rl1A1 THR 237 HB 0.06 0.05 0.08 -0.04 4.32 4.47 2rl1A1 THR 237 HG23 0.08 0.00 -0.16 -0.04 1.22 1.10 2rl1A1 GLY 238 H 0.05 0.56 -0.13 -0.55 8.43 8.37 2rl1A1 GLY 238 HA2 0.08 0.04 0.30 -0.51 4.01 3.92 2rl1A1 GLY 238 HA3 0.07 0.01 0.27 -0.51 4.01 3.85 2rl1A1 THR 239 H -0.01 0.44 -0.36 -0.55 8.28 7.80 2rl1A1 THR 239 HA -0.07 -0.01 0.33 -0.75 4.39 3.88 2rl1A1 THR 239 HB -0.37 0.12 0.13 -0.04 4.32 4.17 2rl1A1 THR 239 HG23 -0.41 -0.02 -0.12 -0.04 1.22 0.63 2rl1A1 PHE 240 H -0.06 0.48 -0.21 -0.55 8.34 8.00 2rl1A1 PHE 240 HA -0.01 0.09 0.50 -0.75 4.62 4.44 2rl1A1 PHE 240 HB2 0.02 0.05 0.04 -0.04 3.15 3.22 2rl1A1 PHE 240 HB3 0.01 0.02 -0.11 -0.04 3.06 2.94 2rl1A1 PHE 240 HD2 0.01 0.01 -0.14 -0.04 7.28 7.12 2rl1A1 PHE 240 HE2 0.02 -0.03 -0.14 -0.04 7.38 7.19 2rl1A1 PHE 240 HZ 0.03 -0.04 -0.08 -0.04 7.32 7.19 2rl1A1 LEU 241 H 0.11 0.53 -0.16 -0.55 8.37 8.30 2rl1A1 LEU 241 HA 0.07 0.05 0.40 -0.75 4.35 4.11 2rl1A1 LEU 241 HB2 0.07 0.08 0.07 -0.04 1.64 1.81 2rl1A1 LEU 241 HB3 0.05 -0.01 -0.08 -0.04 1.64 1.56 2rl1A1 LEU 241 HG 0.09 0.11 -0.09 -0.04 1.64 1.71 2rl1A1 LEU 241 HD13 0.07 -0.03 -0.17 -0.04 0.93 0.75 2rl1A1 LEU 241 HD23 0.06 0.00 -0.16 -0.04 0.89 0.75 2rl1A1 ILE 242 H -0.01 0.47 -0.32 -0.55 8.25 7.84 2rl1A1 ILE 242 HA -0.13 0.04 0.35 -0.75 4.18 3.69 2rl1A1 ILE 242 HB -0.09 0.09 0.09 -0.04 1.89 1.95 2rl1A1 ILE 242 HG12 -0.18 0.01 -0.07 -0.04 1.49 1.21 2rl1A1 ILE 242 HG13 -0.25 -0.15 -0.18 -0.04 1.21 0.59 2rl1A1 ILE 242 HG23 -0.13 -0.01 -0.23 -0.04 0.93 0.52 2rl1A1 ILE 242 HD13 -0.83 0.02 -0.11 -0.04 0.88 -0.08 2rl1A1 ALA 243 H 0.01 0.24 -0.42 -0.55 8.40 7.68 2rl1A1 ALA 243 HA -0.02 0.03 0.30 -0.75 4.34 3.90 2rl1A1 ALA 243 HB3 0.08 0.05 0.03 -0.04 1.41 1.53 2rl1A1 ALA 244 H 0.03 0.28 -0.40 -0.55 8.40 7.75 2rl1A1 ALA 244 HA 0.01 0.15 0.51 -0.75 4.34 4.25 2rl1A1 ALA 244 HB3 0.02 0.04 -0.11 -0.04 1.41 1.31 2rl1A1 ALA 245 H -0.02 0.38 -0.11 -0.55 8.40 8.10 2rl1A1 ALA 245 HA -0.02 0.04 0.33 -0.75 4.34 3.94 2rl1A1 ALA 245 HB3 -0.07 -0.01 0.04 -0.04 1.41 1.33 2rl1A1 ILE 246 H -0.04 0.46 -0.32 -0.55 8.25 7.80 2rl1A1 ILE 246 HA -0.04 0.20 0.63 -0.75 4.18 4.22 2rl1A1 ILE 246 HB -0.03 0.02 0.00 -0.04 1.89 1.84 2rl1A1 ILE 246 HG12 -0.04 0.14 0.03 -0.04 1.49 1.58 2rl1A1 ILE 246 HG13 -0.02 0.11 -0.34 -0.04 1.21 0.92 2rl1A1 ILE 246 HG23 -0.08 -0.01 -0.11 -0.04 0.93 0.68 2rl1A1 ILE 246 HD13 -0.04 -0.06 -0.19 -0.04 0.88 0.56 2rl1A1 SER 247 H -0.01 0.18 -0.34 -0.55 8.46 7.73 2rl1A1 SER 247 HA -0.00 0.27 0.95 -0.75 4.49 4.95 2rl1A1 SER 247 HB2 0.00 0.11 0.41 -0.04 3.95 4.43 2rl1A1 SER 247 HB3 -0.00 0.04 0.06 -0.04 3.93 3.99 2rl1A1 GLY 248 H -0.01 0.26 -0.13 -0.55 8.43 8.01 2rl1A1 GLY 248 HA2 -0.00 0.08 0.30 -0.51 4.01 3.87 2rl1A1 GLY 248 HA3 -0.00 0.06 0.33 -0.51 4.01 3.90 2rl1A1 GLY 249 H 0.00 0.21 -0.21 -0.55 8.43 7.88 2rl1A1 GLY 249 HA2 0.00 0.10 0.46 -0.51 4.01 4.06 2rl1A1 GLY 249 HA3 0.00 0.26 0.19 -0.51 4.01 3.95 2rl1A1 CYS 250 H 0.00 0.25 0.19 -0.55 8.50 8.39 2rl1A1 CYS 250 HA 0.01 0.31 1.08 -0.75 4.58 5.22 2rl1A1 CYS 250 HB2 0.00 -0.02 0.01 -0.04 2.97 2.92 2rl1A1 CYS 250 HB3 0.00 -0.03 0.19 -0.04 2.97 3.09 2rl1A1 VAL 251 H 0.02 0.50 0.36 -0.55 8.24 8.57 2rl1A1 VAL 251 HA -0.00 0.29 1.22 -0.75 4.13 4.89 2rl1A1 VAL 251 HB 0.04 -0.06 0.06 -0.04 2.12 2.13 2rl1A1 VAL 251 HG13 0.02 -0.02 -0.32 -0.04 0.97 0.61 2rl1A1 VAL 251 HG23 0.02 0.03 -0.27 -0.04 0.95 0.69 2rl1A1 VAL 252 H -0.01 0.74 0.42 -0.55 8.24 8.84 2rl1A1 VAL 252 HA 0.01 0.18 1.10 -0.75 4.13 4.67 2rl1A1 VAL 252 HB -0.01 -0.06 0.15 -0.04 2.12 2.16 2rl1A1 VAL 252 HG13 0.00 -0.01 -0.15 -0.04 0.97 0.76 2rl1A1 VAL 252 HG23 -0.00 0.03 -0.13 -0.04 0.95 0.81 2rl1A1 CYS 253 H 0.02 0.76 0.35 -0.55 8.50 9.09 2rl1A1 CYS 253 HA -0.01 0.25 0.93 -0.75 4.58 5.00 2rl1A1 CYS 253 HB2 0.05 -0.04 0.19 -0.04 2.97 3.13 2rl1A1 CYS 253 HB3 0.06 -0.03 -0.04 -0.04 2.97 2.92 2rl1A1 GLN 254 H -0.01 0.70 0.43 -0.55 8.47 9.04 2rl1A1 GLN 254 HA 0.00 0.12 0.87 -0.75 4.36 4.59 2rl1A1 GLN 254 HB2 -0.01 -0.07 0.10 -0.04 2.15 2.13 2rl1A1 GLN 254 HB3 -0.01 -0.00 0.07 -0.04 2.02 2.04 2rl1A1 GLN 254 HG2 -0.03 0.12 -0.03 -0.04 2.40 2.42 2rl1A1 GLN 254 HG3 -0.02 -0.01 -0.10 -0.04 2.39 2.22 2rl1A1 GLN 254 HE21 -0.00 -0.01 -0.08 -0.04 6.97 6.84 2rl1A1 GLN 254 HE22 -0.00 -0.01 0.06 -0.04 7.69 7.69 2rl1A1 ASN 255 H 0.01 0.30 0.33 -0.55 8.53 8.62 2rl1A1 ASN 255 HA 0.01 0.04 0.44 -0.75 4.76 4.49 2rl1A1 ASN 255 HB2 0.01 0.21 0.23 -0.04 2.88 3.29 2rl1A1 ASN 255 HB3 0.01 -0.01 0.22 -0.04 2.79 2.96 2rl1A1 ASN 255 HD21 -0.00 -0.01 0.01 -0.04 7.03 6.99 2rl1A1 ASN 255 HD22 0.00 0.03 0.09 -0.04 7.74 7.82 2rl1A1 THR 256 H 0.02 0.38 -0.16 -0.55 8.28 7.97 2rl1A1 THR 256 HA 0.03 0.11 0.59 -0.75 4.39 4.36 2rl1A1 THR 256 HB 0.03 -0.06 -0.19 -0.04 4.32 4.07 2rl1A1 THR 256 HG23 0.04 0.01 -0.35 -0.04 1.22 0.88 2rl1A1 LYS 257 H 0.02 0.12 -0.02 -0.55 8.42 8.00 2rl1A1 LYS 257 HA 0.01 0.30 0.90 -0.75 4.32 4.77 2rl1A1 LYS 257 HB2 0.01 0.09 0.01 -0.04 1.87 1.94 2rl1A1 LYS 257 HB3 0.01 -0.10 0.10 -0.04 1.79 1.76 2rl1A1 LYS 257 HG2 0.02 -0.18 -0.19 -0.04 1.46 1.07 2rl1A1 LYS 257 HG3 0.01 0.10 0.05 -0.04 1.46 1.57 2rl1A1 LYS 257 HD2 0.01 0.08 0.01 -0.04 1.69 1.74 2rl1A1 LYS 257 HD3 0.00 -0.06 -0.01 -0.04 1.68 1.57 2rl1A1 LYS 257 HE2 0.01 0.03 -0.01 -0.04 2.99 2.97 2rl1A1 LYS 257 HE3 0.02 -0.06 -0.07 -0.04 2.99 2.84 2rl1A1 ALA 258 H 0.02 0.36 0.06 -0.55 8.40 8.29 2rl1A1 ALA 258 HA 0.02 0.08 0.26 -0.75 4.34 3.94 2rl1A1 ALA 258 HB3 0.02 0.05 0.03 -0.04 1.41 1.47 2rl1A1 ASP 259 H 0.03 0.12 -0.13 -0.55 8.40 7.88 2rl1A1 ASP 259 HA 0.03 0.19 0.75 -0.75 4.63 4.85 2rl1A1 ASP 259 HB2 0.04 0.03 0.19 -0.04 2.71 2.93 2rl1A1 ASP 259 HB3 0.03 0.05 0.04 -0.04 2.70 2.77 2rl1A1 THR 260 H 0.04 0.40 -0.24 -0.55 8.28 7.92 2rl1A1 THR 260 HA 0.12 0.25 0.93 -0.75 4.39 4.93 2rl1A1 THR 260 HB -0.02 -0.11 0.19 -0.04 4.32 4.34 2rl1A1 THR 260 HG23 -0.00 0.01 -0.05 -0.04 1.22 1.14 2rl1A1 LEU 261 H 0.05 0.25 -0.11 -0.55 8.37 8.01 2rl1A1 LEU 261 HA 0.02 0.19 0.95 -0.75 4.35 4.75 2rl1A1 LEU 261 HB2 0.04 0.15 0.03 -0.04 1.64 1.82 2rl1A1 LEU 261 HB3 0.03 -0.07 0.17 -0.04 1.64 1.73 2rl1A1 LEU 261 HG 0.03 -0.08 -0.19 -0.04 1.64 1.35 2rl1A1 LEU 261 HD13 0.05 0.03 -0.06 -0.04 0.93 0.91 2rl1A1 LEU 261 HD23 -0.01 0.05 0.01 -0.04 0.89 0.90 2rl1A1 ASP 262 H 0.03 0.22 -0.16 -0.55 8.40 7.95 2rl1A1 ASP 262 HA 0.02 0.09 0.33 -0.75 4.63 4.32 2rl1A1 ASP 262 HB2 -0.01 0.03 0.08 -0.04 2.71 2.77 2rl1A1 ASP 262 HB3 0.00 0.07 -0.00 -0.04 2.70 2.72 2rl1A1 ALA 263 H -0.03 0.17 -0.19 -0.55 8.40 7.81 2rl1A1 ALA 263 HA 0.02 0.12 0.40 -0.75 4.34 4.12 2rl1A1 ALA 263 HB3 -0.01 0.05 -0.07 -0.04 1.41 1.34 2rl1A1 VAL 264 H -0.09 0.04 -0.21 -0.55 8.24 7.44 2rl1A1 VAL 264 HA -0.10 0.07 0.36 -0.75 4.13 3.70 2rl1A1 VAL 264 HB -0.02 0.05 0.13 -0.04 2.12 2.24 2rl1A1 VAL 264 HG13 0.24 0.01 -0.14 -0.04 0.97 1.03 2rl1A1 VAL 264 HG23 -0.41 -0.02 0.03 -0.04 0.95 0.51 2rl1A1 ILE 265 H 0.05 0.74 -0.06 -0.55 8.25 8.43 2rl1A1 ILE 265 HA 0.11 0.03 0.37 -0.75 4.18 3.93 2rl1A1 ILE 265 HB 0.04 0.04 0.06 -0.04 1.89 1.99 2rl1A1 ILE 265 HG12 0.06 -0.01 -0.06 -0.04 1.49 1.43 2rl1A1 ILE 265 HG13 0.05 0.02 0.00 -0.04 1.21 1.25 2rl1A1 ILE 265 HG23 0.05 0.01 -0.16 -0.04 0.93 0.79 2rl1A1 ILE 265 HD13 0.04 -0.02 -0.12 -0.04 0.88 0.73 2rl1A1 ASP 266 H 0.05 0.58 -0.15 -0.55 8.40 8.33 2rl1A1 ASP 266 HA 0.05 0.03 0.41 -0.75 4.63 4.38 2rl1A1 ASP 266 HB2 0.03 0.05 0.15 -0.04 2.71 2.90 2rl1A1 ASP 266 HB3 0.05 0.08 0.13 -0.04 2.70 2.91 2rl1A1 LYS 267 H 0.11 0.42 -0.20 -0.55 8.42 8.19 2rl1A1 LYS 267 HA 0.10 0.06 0.49 -0.75 4.32 4.22 2rl1A1 LYS 267 HB2 0.10 0.05 0.15 -0.04 1.87 2.13 2rl1A1 LYS 267 HB3 0.22 0.01 -0.03 -0.04 1.79 1.95 2rl1A1 LYS 267 HG2 0.06 0.05 0.06 -0.04 1.46 1.58 2rl1A1 LYS 267 HG3 -0.10 -0.11 0.00 -0.04 1.46 1.21 2rl1A1 LYS 267 HD2 -0.04 0.09 0.01 -0.04 1.69 1.72 2rl1A1 LYS 267 HD3 0.04 -0.01 0.05 -0.04 1.68 1.71 2rl1A1 LYS 267 HE2 -0.01 -0.06 0.00 -0.04 2.99 2.88 2rl1A1 LYS 267 HE3 -0.10 -0.09 0.05 -0.04 2.99 2.81 2rl1A1 LEU 268 H 0.25 0.45 -0.16 -0.55 8.37 8.37 2rl1A1 LEU 268 HA 0.18 0.07 0.39 -0.75 4.35 4.23 2rl1A1 LEU 268 HB2 0.14 0.13 0.12 -0.04 1.64 1.99 2rl1A1 LEU 268 HB3 0.09 -0.03 -0.09 -0.04 1.64 1.57 2rl1A1 LEU 268 HG 0.46 0.10 -0.01 -0.04 1.64 2.15 2rl1A1 LEU 268 HD13 0.12 -0.04 -0.16 -0.04 0.93 0.80 2rl1A1 LEU 268 HD23 -0.07 0.00 -0.11 -0.04 0.89 0.67 2rl1A1 ARG 269 H 0.10 0.41 -0.23 -0.55 8.46 8.19 2rl1A1 ARG 269 HA 0.05 0.29 0.54 -0.75 4.34 4.46 2rl1A1 ARG 269 HB2 0.05 0.07 0.20 -0.04 1.90 2.18 2rl1A1 ARG 269 HB3 0.04 -0.03 0.04 -0.04 1.80 1.81 2rl1A1 ARG 269 HG2 0.04 0.08 0.10 -0.04 1.67 1.84 2rl1A1 ARG 269 HG3 0.06 0.02 0.03 -0.04 1.67 1.74 2rl1A1 ARG 269 HD2 0.04 -0.05 -0.07 -0.04 3.22 3.09 2rl1A1 ARG 269 HD3 0.03 -0.01 0.03 -0.04 3.22 3.23 2rl1A1 GLU 270 H 0.08 0.50 -0.06 -0.55 8.60 8.57 2rl1A1 GLU 270 HA 0.04 -0.02 0.43 -0.75 4.29 3.98 2rl1A1 GLU 270 HB2 0.05 0.04 0.20 -0.04 2.09 2.34 2rl1A1 GLU 270 HB3 0.07 0.11 0.12 -0.04 1.99 2.25 2rl1A1 GLU 270 HG2 0.03 0.06 0.09 -0.04 2.34 2.48 2rl1A1 GLU 270 HG3 0.02 -0.07 0.08 -0.04 2.34 2.34 2rl1A1 ALA 271 H 0.09 0.29 -0.52 -0.55 8.40 7.72 2rl1A1 ALA 271 HA 0.04 0.25 0.56 -0.75 4.34 4.43 2rl1A1 ALA 271 HB3 0.07 -0.03 0.11 -0.04 1.41 1.52 2rl1A1 GLY 272 H 0.04 0.46 -0.54 -0.55 8.43 7.84 2rl1A1 GLY 272 HA2 0.02 -0.03 0.28 -0.51 4.01 3.77 2rl1A1 GLY 272 HA3 0.02 0.16 0.79 -0.51 4.01 4.47 2rl1A1 ALA 273 H 0.04 0.44 0.11 -0.55 8.40 8.44 2rl1A1 ALA 273 HA 0.02 0.21 0.71 -0.75 4.34 4.52 2rl1A1 ALA 273 HB3 0.03 -0.04 -0.17 -0.04 1.41 1.19 2rl1A1 GLN 274 H 0.02 0.56 0.24 -0.55 8.47 8.74 2rl1A1 GLN 274 HA 0.02 0.11 0.80 -0.75 4.36 4.54 2rl1A1 GLN 274 HB2 0.01 0.07 0.07 -0.04 2.15 2.26 2rl1A1 GLN 274 HB3 0.01 0.10 0.29 -0.04 2.02 2.38 2rl1A1 GLN 274 HG2 0.01 -0.02 -0.02 -0.04 2.40 2.33 2rl1A1 GLN 274 HG3 0.02 -0.08 -0.24 -0.04 2.39 2.04 2rl1A1 GLN 274 HE21 0.01 -0.01 -0.04 -0.04 6.97 6.90 2rl1A1 GLN 274 HE22 0.01 -0.06 -0.20 -0.04 7.69 7.40 2rl1A1 VAL 275 H 0.03 0.24 0.12 -0.55 8.24 8.08 2rl1A1 VAL 275 HA 0.03 0.43 1.26 -0.75 4.13 5.09 2rl1A1 VAL 275 HB 0.04 -0.01 -0.04 -0.04 2.12 2.07 2rl1A1 VAL 275 HG13 0.05 0.03 -0.31 -0.04 0.97 0.69 2rl1A1 VAL 275 HG23 0.04 -0.04 -0.17 -0.04 0.95 0.74 2rl1A1 ASP 276 H 0.02 0.67 0.33 -0.55 8.40 8.87 2rl1A1 ASP 276 HA 0.02 0.15 0.91 -0.75 4.63 4.95 2rl1A1 ASP 276 HB2 0.01 -0.06 0.14 -0.04 2.71 2.77 2rl1A1 ASP 276 HB3 0.01 0.01 -0.02 -0.04 2.70 2.66 2rl1A1 VAL 277 H 0.02 0.23 0.14 -0.55 8.24 8.08 2rl1A1 VAL 277 HA 0.02 0.20 1.11 -0.75 4.13 4.71 2rl1A1 VAL 277 HB 0.02 -0.01 0.14 -0.04 2.12 2.23 2rl1A1 VAL 277 HG13 0.02 -0.00 -0.15 -0.04 0.97 0.80 2rl1A1 VAL 277 HG23 0.03 -0.00 -0.12 -0.04 0.95 0.82 2rl1A1 THR 278 H 0.02 0.70 0.32 -0.55 8.28 8.77 2rl1A1 THR 278 HA 0.01 0.22 0.87 -0.75 4.39 4.74 2rl1A1 THR 278 HB 0.01 -0.06 0.17 -0.04 4.32 4.40 2rl1A1 THR 278 HG23 0.01 0.04 -0.15 -0.04 1.22 1.08 2rl1A1 GLU 279 H 0.01 0.17 0.16 -0.55 8.60 8.40 2rl1A1 GLU 279 HA 0.01 0.06 0.43 -0.75 4.29 4.03 2rl1A1 GLU 279 HB2 0.01 0.04 0.15 -0.04 2.09 2.24 2rl1A1 GLU 279 HB3 0.01 -0.02 0.14 -0.04 1.99 2.08 2rl1A1 GLU 279 HG2 0.01 0.03 -0.14 -0.04 2.34 2.20 2rl1A1 GLU 279 HG3 0.01 -0.02 0.10 -0.04 2.34 2.38 2rl1A1 ASN 280 H 0.01 0.00 -0.15 -0.55 8.53 7.84 2rl1A1 ASN 280 HA 0.01 0.46 1.05 -0.75 4.76 5.53 2rl1A1 ASN 280 HB2 0.00 -0.00 0.05 -0.04 2.88 2.89 2rl1A1 ASN 280 HB3 0.00 -0.07 0.22 -0.04 2.79 2.91 2rl1A1 ASN 280 HD21 0.00 0.05 -0.05 -0.04 7.03 6.99 2rl1A1 ASN 280 HD22 0.00 -0.01 -0.02 -0.04 7.74 7.68 2rl1A1 SER 281 H 0.01 0.18 -0.12 -0.55 8.46 7.99 2rl1A1 SER 281 HA 0.02 0.22 0.77 -0.75 4.49 4.73 2rl1A1 SER 281 HB2 0.01 0.18 0.09 -0.04 3.95 4.18 2rl1A1 SER 281 HB3 0.01 -0.07 -0.22 -0.04 3.93 3.61 2rl1A1 ILE 282 H 0.02 0.51 0.30 -0.55 8.25 8.53 2rl1A1 ILE 282 HA 0.03 0.27 0.97 -0.75 4.18 4.70 2rl1A1 ILE 282 HB 0.04 -0.06 0.04 -0.04 1.89 1.87 2rl1A1 ILE 282 HG12 0.03 -0.12 -0.46 -0.04 1.49 0.89 2rl1A1 ILE 282 HG13 0.04 -0.05 -0.18 -0.04 1.21 0.98 2rl1A1 ILE 282 HG23 0.04 0.01 -0.19 -0.04 0.93 0.75 2rl1A1 ILE 282 HD13 0.03 0.08 -0.07 -0.04 0.88 0.89 2rl1A1 THR 283 H 0.02 0.63 0.33 -0.55 8.28 8.71 2rl1A1 THR 283 HA 0.02 0.34 1.27 -0.75 4.39 5.27 2rl1A1 THR 283 HB 0.01 -0.07 0.15 -0.04 4.32 4.37 2rl1A1 THR 283 HG23 0.01 0.02 -0.21 -0.04 1.22 1.00 2rl1A1 LEU 284 H 0.02 0.64 0.37 -0.55 8.37 8.87 2rl1A1 LEU 284 HA 0.03 0.30 1.11 -0.75 4.35 5.03 2rl1A1 LEU 284 HB2 0.04 -0.10 -0.04 -0.04 1.64 1.49 2rl1A1 LEU 284 HB3 0.03 -0.03 0.17 -0.04 1.64 1.77 2rl1A1 LEU 284 HG 0.03 0.05 -0.16 -0.04 1.64 1.52 2rl1A1 LEU 284 HD13 0.03 0.03 -0.13 -0.04 0.93 0.81 2rl1A1 LEU 284 HD23 0.01 0.01 -0.42 -0.04 0.89 0.44 2rl1A1 ASP 285 H 0.02 0.83 0.32 -0.55 8.40 9.02 2rl1A1 ASP 285 HA 0.01 0.18 1.08 -0.75 4.63 5.14 2rl1A1 ASP 285 HB2 0.01 -0.04 -0.03 -0.04 2.71 2.61 2rl1A1 ASP 285 HB3 0.01 0.02 0.21 -0.04 2.70 2.89 2rl1A1 MET 286 H 0.01 0.74 0.14 -0.55 8.47 8.80 2rl1A1 MET 286 HA 0.01 0.11 0.62 -0.75 4.52 4.51 2rl1A1 MET 286 HB2 0.00 -0.04 -0.12 -0.04 2.15 1.95 2rl1A1 MET 286 HB3 0.00 -0.09 -0.03 -0.04 2.03 1.87 2rl1A1 MET 286 HG2 -0.01 0.18 0.15 -0.04 2.63 2.91 2rl1A1 MET 286 HG3 -0.00 0.12 0.16 -0.04 2.56 2.80 2rl1A1 MET 286 HE3 0.00 0.04 -0.25 -0.04 2.10 1.85 2rl1A1 LEU 287 H 0.01 -0.02 -0.34 -0.55 8.37 7.47 2rl1A1 LEU 287 HA 0.00 -0.04 0.25 -0.75 4.35 3.81 2rl1A1 LEU 287 HB2 0.01 0.22 -0.07 -0.04 1.64 1.76 2rl1A1 LEU 287 HB3 0.01 -0.04 0.16 -0.04 1.64 1.73 2rl1A1 LEU 287 HG 0.01 0.07 -0.23 -0.04 1.64 1.45 2rl1A1 LEU 287 HD13 0.01 0.01 -0.03 -0.04 0.93 0.87 2rl1A1 LEU 287 HD23 0.01 -0.03 -0.00 -0.04 0.89 0.83 2rl1A1 GLY 288 H 0.00 0.19 -0.30 -0.55 8.43 7.78 2rl1A1 GLY 288 HA2 0.00 0.15 0.37 -0.51 4.01 4.02 2rl1A1 GLY 288 HA3 0.00 -0.06 0.40 -0.51 4.01 3.85 2rl1A1 ASN 289 H 0.00 0.50 -0.26 -0.55 8.53 8.22 2rl1A1 ASN 289 HA 0.00 0.10 0.95 -0.75 4.76 5.06 2rl1A1 ASN 289 HB2 0.00 0.12 0.04 -0.04 2.88 3.01 2rl1A1 ASN 289 HB3 0.00 -0.01 0.09 -0.04 2.79 2.83 2rl1A1 ASN 289 HD21 0.01 -0.13 0.01 -0.04 7.03 6.88 2rl1A1 ASN 289 HD22 0.01 0.08 0.00 -0.04 7.74 7.78 2rl1A1 ARG 290 H 0.00 0.02 0.17 -0.55 8.46 8.10 2rl1A1 ARG 290 HA -0.00 0.17 0.55 -0.75 4.34 4.30 2rl1A1 ARG 290 HB2 0.00 -0.05 0.12 -0.04 1.90 1.93 2rl1A1 ARG 290 HB3 0.00 -0.12 0.11 -0.04 1.80 1.75 2rl1A1 ARG 290 HG2 -0.00 0.09 -0.07 -0.04 1.67 1.65 2rl1A1 ARG 290 HG3 -0.00 0.18 0.14 -0.04 1.67 1.95 2rl1A1 ARG 290 HD2 0.00 -0.06 0.02 -0.04 3.22 3.14 2rl1A1 ARG 290 HD3 0.00 -0.17 -0.05 -0.04 3.22 2.96 2rl1A1 PRO 291 HA 0.00 0.25 0.58 -0.51 4.44 4.76 2rl1A1 PRO 291 HB2 -0.01 -0.06 -0.09 -0.04 2.28 2.08 2rl1A1 PRO 291 HB3 -0.01 -0.05 0.04 -0.04 2.02 1.96 2rl1A1 PRO 291 HG2 -0.03 -0.04 0.02 -0.04 2.03 1.95 2rl1A1 PRO 291 HG3 -0.02 0.27 0.12 -0.04 2.03 2.37 2rl1A1 PRO 291 HD2 -0.01 0.21 0.13 -0.04 3.68 3.97 2rl1A1 PRO 291 HD3 -0.01 0.15 0.27 -0.04 3.65 4.02 2rl1A1 LYS 292 H 0.01 0.62 0.35 -0.55 8.42 8.84 2rl1A1 LYS 292 HA -0.00 0.05 0.92 -0.75 4.32 4.54 2rl1A1 LYS 292 HB2 0.01 -0.00 0.07 -0.04 1.87 1.91 2rl1A1 LYS 292 HB3 0.01 0.04 0.15 -0.04 1.79 1.96 2rl1A1 LYS 292 HG2 0.00 0.11 -0.03 -0.04 1.46 1.50 2rl1A1 LYS 292 HG3 -0.00 0.01 0.15 -0.04 1.46 1.58 2rl1A1 LYS 292 HD2 0.00 -0.10 0.04 -0.04 1.69 1.59 2rl1A1 LYS 292 HD3 0.00 -0.03 0.04 -0.04 1.68 1.65 2rl1A1 LYS 292 HE2 0.01 0.02 0.06 -0.04 2.99 3.04 2rl1A1 LYS 292 HE3 0.01 -0.12 0.04 -0.04 2.99 2.87 2rl1A1 ALA 293 H -0.01 0.48 0.12 -0.55 8.40 8.44 2rl1A1 ALA 293 HA 0.01 -0.02 0.23 -0.75 4.34 3.81 2rl1A1 ALA 293 HB3 -0.02 -0.00 -0.34 -0.04 1.41 1.00 2rl1A1 VAL 294 H 0.04 0.17 0.11 -0.55 8.24 8.01 2rl1A1 VAL 294 HA 0.01 0.14 0.78 -0.75 4.13 4.31 2rl1A1 VAL 294 HB 0.03 -0.04 0.06 -0.04 2.12 2.13 2rl1A1 VAL 294 HG13 0.06 0.11 -0.30 -0.04 0.97 0.80 2rl1A1 VAL 294 HG23 0.14 -0.03 -0.12 -0.04 0.95 0.90 2rl1A1 ASN 295 H -0.02 0.13 0.16 -0.55 8.53 8.26 2rl1A1 ASN 295 HA -0.03 0.00 0.65 -0.75 4.76 4.63 2rl1A1 ASN 295 HB2 -0.03 -0.01 0.12 -0.04 2.88 2.92 2rl1A1 ASN 295 HB3 -0.04 0.05 0.11 -0.04 2.79 2.87 2rl1A1 ASN 295 HD21 -0.01 0.03 0.02 -0.04 7.03 7.02 2rl1A1 ASN 295 HD22 -0.02 -0.00 0.03 -0.04 7.74 7.71 2rl1A1 ILE 296 H -0.08 0.75 0.46 -0.55 8.25 8.84 2rl1A1 ILE 296 HA -0.33 0.16 0.89 -0.75 4.18 4.15 2rl1A1 ILE 296 HB -0.16 -0.08 0.07 -0.04 1.89 1.68 2rl1A1 ILE 296 HG12 -0.12 0.15 -0.60 -0.04 1.49 0.88 2rl1A1 ILE 296 HG13 -0.16 -0.05 -0.19 -0.04 1.21 0.77 2rl1A1 ILE 296 HG23 -0.88 -0.03 -0.21 -0.04 0.93 -0.22 2rl1A1 ILE 296 HD13 -0.66 0.05 -0.08 -0.04 0.88 0.15 2rl1A1 ARG 297 H -0.25 0.26 0.11 -0.55 8.46 8.02 2rl1A1 ARG 297 HA -0.04 0.27 0.98 -0.75 4.34 4.80 2rl1A1 ARG 297 HB2 -0.04 0.02 -0.08 -0.04 1.90 1.76 2rl1A1 ARG 297 HB3 -0.04 -0.04 0.11 -0.04 1.80 1.80 2rl1A1 ARG 297 HG2 -0.01 0.13 -0.12 -0.04 1.67 1.64 2rl1A1 ARG 297 HG3 -0.01 -0.02 0.05 -0.04 1.67 1.65 2rl1A1 ARG 297 HD2 -0.01 0.01 -0.03 -0.04 3.22 3.14 2rl1A1 ARG 297 HD3 -0.01 -0.03 -0.04 -0.04 3.22 3.10 2rl1A1 THR 298 H 0.00 0.55 0.34 -0.55 8.28 8.63 2rl1A1 THR 298 HA 0.19 0.24 0.58 -0.75 4.39 4.64 2rl1A1 THR 298 HB 0.09 -0.09 0.07 -0.04 4.32 4.35 2rl1A1 THR 298 HG23 0.12 0.06 -0.03 -0.04 1.22 1.34 2rl1A1 ALA 299 H 0.08 0.76 0.31 -0.55 8.40 8.99 2rl1A1 ALA 299 HA -0.01 0.03 0.42 -0.75 4.34 4.03 2rl1A1 ALA 299 HB3 0.01 0.04 -0.05 -0.04 1.41 1.37 2rl1A1 PRO 300 HA 0.02 -0.10 0.44 -0.51 4.44 4.29 2rl1A1 PRO 300 HB2 0.01 0.17 0.01 -0.04 2.28 2.43 2rl1A1 PRO 300 HB3 0.01 -0.09 0.12 -0.04 2.02 2.01 2rl1A1 PRO 300 HG2 -0.02 0.11 0.10 -0.04 2.03 2.18 2rl1A1 PRO 300 HG3 -0.03 0.01 0.09 -0.04 2.03 2.06 2rl1A1 PRO 300 HD2 -0.01 0.18 0.16 -0.04 3.68 3.97 2rl1A1 PRO 300 HD3 -0.02 0.13 0.20 -0.04 3.65 3.92 2rl1A1 HIS 301 H 0.12 -0.07 0.17 -0.55 8.41 8.09 2rl1A1 HIS 301 HA -0.01 0.17 0.38 -0.75 4.63 4.41 2rl1A1 HIS 301 HB2 -0.01 -0.11 0.15 -0.04 3.26 3.26 2rl1A1 HIS 301 HB3 -0.00 -0.12 -0.08 -0.04 3.20 2.96 2rl1A1 HIS 301 HD2 0.00 0.17 -0.26 -0.04 6.97 6.84 2rl1A1 HIS 301 HE1 -0.02 0.07 0.09 -0.04 7.75 7.85 2rl1A1 PRO 302 HA -1.26 -0.03 0.34 -0.51 4.44 2.98 2rl1A1 PRO 302 HB2 -0.31 -0.02 0.15 -0.04 2.28 2.06 2rl1A1 PRO 302 HB3 -0.60 0.04 0.11 -0.04 2.02 1.53 2rl1A1 PRO 302 HG2 -0.14 0.04 -0.04 -0.04 2.03 1.86 2rl1A1 PRO 302 HG3 -0.13 0.06 0.06 -0.04 2.03 1.98 2rl1A1 PRO 302 HD2 -0.08 0.13 0.28 -0.04 3.68 3.96 2rl1A1 PRO 302 HD3 -0.11 0.12 0.15 -0.04 3.65 3.77 2rl1A1 GLY 303 H -0.08 0.52 0.09 -0.55 8.43 8.42 2rl1A1 GLY 303 HA2 -0.02 0.08 0.43 -0.51 4.01 3.98 2rl1A1 GLY 303 HA3 -0.00 0.08 0.23 -0.51 4.01 3.81 2rl1A1 PHE 304 H 0.14 0.21 0.13 -0.55 8.34 8.26 2rl1A1 PHE 304 HA -0.07 0.03 0.43 -0.75 4.62 4.26 2rl1A1 PHE 304 HB2 -0.10 0.05 0.11 -0.04 3.15 3.16 2rl1A1 PHE 304 HB3 -0.07 0.15 0.11 -0.04 3.06 3.21 2rl1A1 PHE 304 HD2 -0.17 -0.05 -0.34 -0.04 7.28 6.67 2rl1A1 PHE 304 HE2 -0.74 -0.04 -0.27 -0.04 7.38 6.30 2rl1A1 PHE 304 HZ -0.80 0.09 -0.18 -0.04 7.32 6.40 2rl1A1 PRO 305 HA 0.00 0.10 0.58 -0.51 4.44 4.61 2rl1A1 PRO 305 HB2 -0.07 -0.18 0.01 -0.04 2.28 2.00 2rl1A1 PRO 305 HB3 -0.05 0.11 0.11 -0.04 2.02 2.14 2rl1A1 PRO 305 HG2 -0.48 -0.07 0.08 -0.04 2.03 1.52 2rl1A1 PRO 305 HG3 -0.24 0.07 0.06 -0.04 2.03 1.87 2rl1A1 PRO 305 HD2 -1.11 0.09 0.18 -0.04 3.68 2.80 2rl1A1 PRO 305 HD3 -0.25 0.32 0.23 -0.04 3.65 3.91 2rl1A1 THR 306 H 0.05 0.21 0.19 -0.55 8.28 8.19 2rl1A1 THR 306 HA 0.16 0.16 0.44 -0.75 4.39 4.39 2rl1A1 THR 306 HB 0.05 0.01 0.15 -0.04 4.32 4.50 2rl1A1 THR 306 HG23 0.10 0.01 0.05 -0.04 1.22 1.34 2rl1A1 ASP 307 H 0.05 0.08 -0.25 -0.55 8.40 7.73 2rl1A1 ASP 307 HA 0.07 0.05 0.38 -0.75 4.63 4.37 2rl1A1 ASP 307 HB2 0.02 0.00 0.01 -0.04 2.71 2.70 2rl1A1 ASP 307 HB3 0.02 0.06 0.08 -0.04 2.70 2.82 2rl1A1 MET 308 H 0.05 0.46 -0.65 -0.55 8.47 7.78 2rl1A1 MET 308 HA 0.12 0.19 0.82 -0.75 4.52 4.90 2rl1A1 MET 308 HB2 -0.42 0.15 0.00 -0.04 2.15 1.84 2rl1A1 MET 308 HB3 0.11 0.05 0.05 -0.04 2.03 2.21 2rl1A1 MET 308 HG2 -0.08 -0.16 -0.21 -0.04 2.63 2.14 2rl1A1 MET 308 HG3 -0.12 0.03 -0.04 -0.04 2.56 2.39 2rl1A1 MET 308 HE3 0.21 0.02 -0.20 -0.04 2.10 2.09 2rl1A1 GLN 309 H 0.21 0.38 -0.14 -0.55 8.47 8.37 2rl1A1 GLN 309 HA 0.36 0.14 0.31 -0.75 4.36 4.41 2rl1A1 GLN 309 HB2 0.22 -0.05 0.15 -0.04 2.15 2.42 2rl1A1 GLN 309 HB3 0.15 0.01 0.19 -0.04 2.02 2.33 2rl1A1 GLN 309 HG2 0.18 0.04 -0.09 -0.04 2.40 2.48 2rl1A1 GLN 309 HG3 0.10 -0.03 -0.08 -0.04 2.39 2.34 2rl1A1 GLN 309 HE21 -0.01 0.47 0.08 -0.04 6.97 7.47 2rl1A1 GLN 309 HE22 -0.06 -0.13 0.03 -0.04 7.69 7.49 2rl1A1 ALA 310 H 0.03 0.10 -0.09 -0.55 8.40 7.89 2rl1A1 ALA 310 HA -0.39 0.12 0.38 -0.75 4.34 3.69 2rl1A1 ALA 310 HB3 -0.49 0.00 0.05 -0.04 1.41 0.94 2rl1A1 GLN 311 H 0.05 0.04 -0.34 -0.55 8.47 7.67 2rl1A1 GLN 311 HA -0.03 0.07 0.30 -0.75 4.36 3.94 2rl1A1 GLN 311 HB2 0.20 0.11 0.01 -0.04 2.15 2.43 2rl1A1 GLN 311 HB3 -0.00 0.10 -0.08 -0.04 2.02 2.00 2rl1A1 GLN 311 HG2 -0.01 0.04 -0.03 -0.04 2.40 2.36 2rl1A1 GLN 311 HG3 -0.03 -0.03 -0.05 -0.04 2.39 2.24 2rl1A1 GLN 311 HE21 0.10 0.22 0.10 -0.04 6.97 7.35 2rl1A1 GLN 311 HE22 0.09 -0.01 0.03 -0.04 7.69 7.75 2rl1A1 PHE 312 H 0.42 0.36 -0.34 -0.55 8.34 8.23 2rl1A1 PHE 312 HA 0.07 0.12 0.49 -0.75 4.62 4.55 2rl1A1 PHE 312 HB2 0.19 0.04 0.04 -0.04 3.15 3.38 2rl1A1 PHE 312 HB3 0.03 0.04 -0.09 -0.04 3.06 2.99 2rl1A1 PHE 312 HD2 0.17 0.10 -0.06 -0.04 7.28 7.44 2rl1A1 PHE 312 HE2 0.11 -0.02 -0.17 -0.04 7.38 7.26 2rl1A1 PHE 312 HZ 0.14 0.09 -0.04 -0.04 7.32 7.47 2rl1A1 THR 313 H 0.16 0.27 -0.30 -0.55 8.28 7.86 2rl1A1 THR 313 HA 0.14 0.05 0.38 -0.75 4.39 4.20 2rl1A1 THR 313 HB 0.17 0.09 0.12 -0.04 4.32 4.67 2rl1A1 THR 313 HG23 0.22 -0.01 -0.22 -0.04 1.22 1.16 2rl1A1 LEU 314 H 0.03 0.46 -0.21 -0.55 8.37 8.10 2rl1A1 LEU 314 HA 0.04 0.03 0.28 -0.75 4.35 3.94 2rl1A1 LEU 314 HB2 -0.00 -0.11 -0.01 -0.04 1.64 1.47 2rl1A1 LEU 314 HB3 -0.03 0.15 0.07 -0.04 1.64 1.79 2rl1A1 LEU 314 HG -0.03 0.10 -0.39 -0.04 1.64 1.28 2rl1A1 LEU 314 HD13 0.01 -0.00 -0.08 -0.04 0.93 0.81 2rl1A1 LEU 314 HD23 -0.03 0.04 -0.16 -0.04 0.89 0.70 2rl1A1 LEU 315 H -0.04 0.21 -0.31 -0.55 8.37 7.68 2rl1A1 LEU 315 HA -0.06 0.12 0.29 -0.75 4.35 3.95 2rl1A1 LEU 315 HB2 -0.25 -0.03 0.04 -0.04 1.64 1.35 2rl1A1 LEU 315 HB3 -0.12 0.05 0.06 -0.04 1.64 1.60 2rl1A1 LEU 315 HG -0.05 0.04 -0.26 -0.04 1.64 1.33 2rl1A1 LEU 315 HD13 -0.10 0.02 -0.15 -0.04 0.93 0.66 2rl1A1 LEU 315 HD23 -0.23 -0.02 -0.10 -0.04 0.89 0.50 2rl1A1 ASN 316 H 0.04 0.44 -0.36 -0.55 8.53 8.10 2rl1A1 ASN 316 HA 0.02 0.05 0.34 -0.75 4.76 4.41 2rl1A1 ASN 316 HB2 0.06 0.07 0.10 -0.04 2.88 3.06 2rl1A1 ASN 316 HB3 0.03 -0.07 -0.13 -0.04 2.79 2.57 2rl1A1 ASN 316 HD21 0.07 0.24 -0.01 -0.04 7.03 7.29 2rl1A1 ASN 316 HD22 0.08 -0.11 -0.11 -0.04 7.74 7.56 2rl1A1 MET 317 H 0.03 0.44 -0.25 -0.55 8.47 8.14 2rl1A1 MET 317 HA 0.03 0.03 0.29 -0.75 4.52 4.12 2rl1A1 MET 317 HB2 0.03 0.09 0.03 -0.04 2.15 2.26 2rl1A1 MET 317 HB3 0.03 -0.06 0.04 -0.04 2.03 2.00 2rl1A1 MET 317 HG2 0.04 -0.02 -0.10 -0.04 2.63 2.50 2rl1A1 MET 317 HG3 0.06 0.29 -0.08 -0.04 2.56 2.78 2rl1A1 MET 317 HE3 0.02 -0.03 -0.28 -0.04 2.10 1.77 2rl1A1 VAL 318 H 0.01 0.26 -0.55 -0.55 8.24 7.41 2rl1A1 VAL 318 HA 0.01 0.34 1.02 -0.75 4.13 4.75 2rl1A1 VAL 318 HB 0.00 0.07 0.17 -0.04 2.12 2.32 2rl1A1 VAL 318 HG13 0.01 -0.04 -0.18 -0.04 0.97 0.72 2rl1A1 VAL 318 HG23 -0.01 0.05 -0.03 -0.04 0.95 0.91 2rl1A1 ALA 319 H 0.00 0.07 -0.28 -0.55 8.40 7.64 2rl1A1 ALA 319 HA -0.01 0.19 0.53 -0.75 4.34 4.31 2rl1A1 ALA 319 HB3 -0.00 -0.03 -0.23 -0.04 1.41 1.11 2rl1A1 GLU 320 H -0.01 0.43 0.29 -0.55 8.60 8.76 2rl1A1 GLU 320 HA -0.03 0.14 0.85 -0.75 4.29 4.50 2rl1A1 GLU 320 HB2 -0.01 0.09 0.02 -0.04 2.09 2.15 2rl1A1 GLU 320 HB3 -0.01 -0.02 0.22 -0.04 1.99 2.14 2rl1A1 GLU 320 HG2 -0.02 -0.07 -0.03 -0.04 2.34 2.19 2rl1A1 GLU 320 HG3 -0.03 -0.04 0.01 -0.04 2.34 2.24 2rl1A1 GLY 321 H -0.12 0.21 0.14 -0.55 8.43 8.11 2rl1A1 GLY 321 HA2 -0.13 -0.02 0.35 -0.51 4.01 3.70 2rl1A1 GLY 321 HA3 -0.07 0.21 0.90 -0.51 4.01 4.53 2rl1A1 THR 322 H -0.09 0.11 0.19 -0.55 8.28 7.94 2rl1A1 THR 322 HA -0.11 0.37 1.01 -0.75 4.39 4.91 2rl1A1 THR 322 HB -0.05 -0.07 0.08 -0.04 4.32 4.24 2rl1A1 THR 322 HG23 -0.01 0.04 -0.05 -0.04 1.22 1.16 2rl1A1 SER 323 H -0.02 0.54 0.33 -0.55 8.46 8.76 2rl1A1 SER 323 HA -0.02 0.12 0.63 -0.75 4.49 4.48 2rl1A1 SER 323 HB2 -0.00 0.11 -0.21 -0.04 3.95 3.80 2rl1A1 SER 323 HB3 -0.01 0.03 -0.36 -0.04 3.93 3.55 2rl1A1 ILE 324 H -0.02 0.17 0.15 -0.55 8.25 8.00 2rl1A1 ILE 324 HA -0.02 0.28 1.08 -0.75 4.18 4.77 2rl1A1 ILE 324 HB -0.01 -0.05 0.15 -0.04 1.89 1.93 2rl1A1 ILE 324 HG12 -0.01 0.07 -0.16 -0.04 1.49 1.35 2rl1A1 ILE 324 HG13 -0.01 -0.05 -0.18 -0.04 1.21 0.93 2rl1A1 ILE 324 HG23 -0.01 -0.00 -0.14 -0.04 0.93 0.75 2rl1A1 ILE 324 HD13 -0.01 0.00 -0.05 -0.04 0.88 0.78 2rl1A1 ILE 325 H -0.01 0.81 0.39 -0.55 8.25 8.89 2rl1A1 ILE 325 HA 0.00 0.19 1.10 -0.75 4.18 4.72 2rl1A1 ILE 325 HB 0.08 -0.07 0.17 -0.04 1.89 2.03 2rl1A1 ILE 325 HG12 0.01 0.06 -0.14 -0.04 1.49 1.38 2rl1A1 ILE 325 HG13 0.08 -0.02 -0.09 -0.04 1.21 1.13 2rl1A1 ILE 325 HG23 0.19 -0.02 -0.16 -0.04 0.93 0.89 2rl1A1 ILE 325 HD13 0.01 0.02 -0.20 -0.04 0.88 0.67 2rl1A1 THR 326 H 0.01 0.91 0.43 -0.55 8.28 9.09 2rl1A1 THR 326 HA 0.15 0.37 1.25 -0.75 4.39 5.40 2rl1A1 THR 326 HB 0.01 -0.04 0.24 -0.04 4.32 4.49 2rl1A1 THR 326 HG23 0.03 -0.01 -0.15 -0.04 1.22 1.05 2rl1A1 GLU 327 H 0.13 0.82 0.31 -0.55 8.60 9.32 2rl1A1 GLU 327 HA -0.00 -0.06 0.92 -0.75 4.29 4.39 2rl1A1 GLU 327 HB2 -0.22 0.00 -0.03 -0.04 2.09 1.81 2rl1A1 GLU 327 HB3 -0.23 0.14 0.17 -0.04 1.99 2.02 2rl1A1 GLU 327 HG2 -0.24 0.10 0.09 -0.04 2.34 2.25 2rl1A1 GLU 327 HG3 -0.08 -0.08 -0.32 -0.04 2.34 1.82 2rl1A1 THR 328 H -0.02 0.15 0.14 -0.55 8.28 8.01 2rl1A1 THR 328 HA -0.02 0.25 0.87 -0.75 4.39 4.73 2rl1A1 THR 328 HB -0.03 0.00 0.13 -0.04 4.32 4.39 2rl1A1 THR 328 HG23 -0.00 0.01 -0.07 -0.04 1.22 1.11 2rl1A1 ILE 329 H -0.08 -0.07 -0.06 -0.55 8.25 7.49 2rl1A1 ILE 329 HA -0.24 0.24 0.71 -0.75 4.18 4.14 2rl1A1 ILE 329 HB -0.25 -0.10 0.10 -0.04 1.89 1.60 2rl1A1 ILE 329 HG12 -0.07 -0.05 -0.12 -0.04 1.49 1.21 2rl1A1 ILE 329 HG13 -0.08 -0.12 -0.04 -0.04 1.21 0.93 2rl1A1 ILE 329 HG23 -0.79 0.00 -0.07 -0.04 0.93 0.03 2rl1A1 ILE 329 HD13 -0.10 0.02 -0.19 -0.04 0.88 0.57 2rl1A1 PHE 330 H -0.05 0.07 -0.02 -0.55 8.34 7.79 2rl1A1 PHE 330 HA -0.04 0.23 0.82 -0.75 4.62 4.87 2rl1A1 PHE 330 HB2 -0.07 -0.09 0.13 -0.04 3.15 3.07 2rl1A1 PHE 330 HB3 -0.06 0.22 -0.03 -0.04 3.06 3.15 2rl1A1 PHE 330 HD2 -0.03 0.02 -0.07 -0.04 7.28 7.16 2rl1A1 PHE 330 HE2 -0.03 -0.00 -0.08 -0.04 7.38 7.23 2rl1A1 PHE 330 HZ -0.03 -0.04 -0.05 -0.04 7.32 7.16 2rl1A1 GLU 331 H 0.06 0.21 0.04 -0.55 8.60 8.37 2rl1A1 GLU 331 HA -0.02 0.16 0.38 -0.75 4.29 4.06 2rl1A1 GLU 331 HB2 0.03 -0.03 0.10 -0.04 2.09 2.14 2rl1A1 GLU 331 HB3 0.03 0.04 0.08 -0.04 1.99 2.09 2rl1A1 GLU 331 HG2 0.01 0.10 0.02 -0.04 2.34 2.43 2rl1A1 GLU 331 HG3 0.00 0.00 -0.04 -0.04 2.34 2.27 2rl1A1 ASN 332 H 0.03 0.21 -0.35 -0.55 8.53 7.87 2rl1A1 ASN 332 HA 0.00 0.26 0.98 -0.75 4.76 5.25 2rl1A1 ASN 332 HB2 0.01 -0.01 -0.08 -0.04 2.88 2.76 2rl1A1 ASN 332 HB3 -0.01 0.10 -0.14 -0.04 2.79 2.71 2rl1A1 ASN 332 HD21 -0.00 -0.04 0.02 -0.04 7.03 6.97 2rl1A1 ASN 332 HD22 -0.01 0.11 0.04 -0.04 7.74 7.84 2rl1A1 ARG 333 H -0.24 0.36 -0.21 -0.55 8.46 7.82 2rl1A1 ARG 333 HA -0.06 0.14 0.99 -0.75 4.34 4.65 2rl1A1 ARG 333 HB2 -0.01 0.06 0.08 -0.04 1.90 1.99 2rl1A1 ARG 333 HB3 -0.13 0.03 0.22 -0.04 1.80 1.88 2rl1A1 ARG 333 HG2 0.04 -0.07 0.09 -0.04 1.67 1.69 2rl1A1 ARG 333 HG3 -0.06 -0.01 0.08 -0.04 1.67 1.63 2rl1A1 ARG 333 HD2 0.08 0.03 0.01 -0.04 3.22 3.30 2rl1A1 ARG 333 HD3 0.08 0.04 0.04 -0.04 3.22 3.35 2rl1A1 PHE 334 H 0.01 0.29 -0.38 -0.55 8.34 7.71 2rl1A1 PHE 334 HA -0.28 0.19 0.82 -0.75 4.62 4.60 2rl1A1 PHE 334 HB2 -0.07 0.08 -0.07 -0.04 3.15 3.05 2rl1A1 PHE 334 HB3 -0.16 0.00 0.07 -0.04 3.06 2.94 2rl1A1 PHE 334 HD2 -0.05 0.02 -0.07 -0.04 7.28 7.14 2rl1A1 PHE 334 HE2 0.04 -0.02 -0.31 -0.04 7.38 7.06 2rl1A1 PHE 334 HZ 0.02 0.14 -0.24 -0.04 7.32 7.19 2rl1A1 MET 335 H 0.01 0.12 -0.08 -0.55 8.47 7.98 2rl1A1 MET 335 HA -0.01 0.16 0.32 -0.75 4.52 4.24 2rl1A1 MET 335 HB2 0.01 -0.12 0.02 -0.04 2.15 2.02 2rl1A1 MET 335 HB3 -0.00 0.06 -0.07 -0.04 2.03 1.97 2rl1A1 MET 335 HG2 -0.01 0.04 0.02 -0.04 2.63 2.64 2rl1A1 MET 335 HG3 -0.03 -0.01 -0.03 -0.04 2.56 2.45 2rl1A1 MET 335 HE3 -0.02 0.01 -0.03 -0.04 2.10 2.01 2rl1A1 HIS 336 H -0.04 0.00 -0.53 -0.55 8.41 7.29 2rl1A1 HIS 336 HA 0.02 0.12 0.38 -0.75 4.63 4.39 2rl1A1 HIS 336 HB2 0.04 0.08 -0.09 -0.04 3.26 3.25 2rl1A1 HIS 336 HB3 0.03 -0.13 -0.11 -0.04 3.20 2.95 2rl1A1 HIS 336 HD2 0.08 0.10 -0.38 -0.04 6.97 6.72 2rl1A1 HIS 336 HE1 0.21 0.12 -0.03 -0.04 7.75 8.00 2rl1A1 ILE 337 H -0.38 0.46 -0.30 -0.55 8.25 7.48 2rl1A1 ILE 337 HA -0.00 0.07 0.31 -0.75 4.18 3.81 2rl1A1 ILE 337 HB -0.15 0.17 0.08 -0.04 1.89 1.94 2rl1A1 ILE 337 HG12 -0.07 0.04 -0.11 -0.04 1.49 1.30 2rl1A1 ILE 337 HG13 -0.49 -0.15 -0.04 -0.04 1.21 0.49 2rl1A1 ILE 337 HG23 -0.10 0.01 -0.28 -0.04 0.93 0.51 2rl1A1 ILE 337 HD13 -0.45 -0.00 -0.11 -0.04 0.88 0.28 2rl1A1 PRO 338 HA -0.02 0.12 0.45 -0.51 4.44 4.48 2rl1A1 PRO 338 HB2 -0.01 0.05 -0.02 -0.04 2.28 2.26 2rl1A1 PRO 338 HB3 -0.02 0.04 0.07 -0.04 2.02 2.07 2rl1A1 PRO 338 HG2 -0.01 0.17 0.06 -0.04 2.03 2.22 2rl1A1 PRO 338 HG3 -0.01 -0.01 0.03 -0.04 2.03 2.00 2rl1A1 PRO 338 HD2 -0.07 0.11 -0.08 -0.04 3.68 3.60 2rl1A1 PRO 338 HD3 -0.05 0.10 0.03 -0.04 3.65 3.69 2rl1A1 GLU 339 H 0.01 0.20 -0.47 -0.55 8.60 7.79 2rl1A1 GLU 339 HA 0.02 0.10 0.51 -0.75 4.29 4.16 2rl1A1 GLU 339 HB2 0.05 0.06 0.07 -0.04 2.09 2.23 2rl1A1 GLU 339 HB3 0.03 -0.04 0.02 -0.04 1.99 1.96 2rl1A1 GLU 339 HG2 0.02 0.13 0.07 -0.04 2.34 2.52 2rl1A1 GLU 339 HG3 0.02 0.08 0.06 -0.04 2.34 2.46 2rl1A1 LEU 340 H 0.05 0.44 -0.18 -0.55 8.37 8.13 2rl1A1 LEU 340 HA 0.04 0.09 0.44 -0.75 4.35 4.16 2rl1A1 LEU 340 HB2 0.07 0.08 0.08 -0.04 1.64 1.83 2rl1A1 LEU 340 HB3 0.05 0.01 -0.08 -0.04 1.64 1.58 2rl1A1 LEU 340 HG 0.12 0.02 -0.08 -0.04 1.64 1.65 2rl1A1 LEU 340 HD13 0.17 -0.04 -0.24 -0.04 0.93 0.79 2rl1A1 LEU 340 HD23 0.04 0.02 -0.15 -0.04 0.89 0.76 2rl1A1 ILE 341 H 0.01 0.40 -0.20 -0.55 8.25 7.91 2rl1A1 ILE 341 HA 0.01 0.17 0.46 -0.75 4.18 4.07 2rl1A1 ILE 341 HB -0.01 -0.02 0.15 -0.04 1.89 1.97 2rl1A1 ILE 341 HG12 -0.02 -0.05 -0.03 -0.04 1.49 1.36 2rl1A1 ILE 341 HG13 -0.01 0.25 -0.04 -0.04 1.21 1.37 2rl1A1 ILE 341 HG23 -0.01 0.02 -0.12 -0.04 0.93 0.78 2rl1A1 ILE 341 HD13 -0.02 -0.06 -0.29 -0.04 0.88 0.47 2rl1A1 ARG 342 H 0.01 0.29 -0.39 -0.55 8.46 7.82 2rl1A1 ARG 342 HA 0.00 0.01 0.39 -0.75 4.34 4.00 2rl1A1 ARG 342 HB2 0.01 0.24 0.12 -0.04 1.90 2.23 2rl1A1 ARG 342 HB3 0.01 -0.01 0.03 -0.04 1.80 1.79 2rl1A1 ARG 342 HG2 0.01 -0.05 0.08 -0.04 1.67 1.66 2rl1A1 ARG 342 HG3 0.01 0.18 0.14 -0.04 1.67 1.95 2rl1A1 ARG 342 HD2 0.01 -0.09 0.05 -0.04 3.22 3.14 2rl1A1 ARG 342 HD3 0.01 -0.10 0.11 -0.04 3.22 3.20 2rl1A1 MET 343 H 0.01 0.16 -0.68 -0.55 8.47 7.42 2rl1A1 MET 343 HA 0.01 0.29 0.67 -0.75 4.52 4.74 2rl1A1 MET 343 HB2 0.02 0.06 0.07 -0.04 2.15 2.26 2rl1A1 MET 343 HB3 0.01 -0.06 0.10 -0.04 2.03 2.04 2rl1A1 MET 343 HG2 0.01 0.07 -0.09 -0.04 2.63 2.59 2rl1A1 MET 343 HG3 0.02 0.04 -0.10 -0.04 2.56 2.48 2rl1A1 MET 343 HE3 0.01 0.02 -0.35 -0.04 2.10 1.73 2rl1A1 GLY 344 H 0.01 0.51 -0.38 -0.55 8.43 8.02 2rl1A1 GLY 344 HA2 0.00 -0.02 0.32 -0.51 4.01 3.80 2rl1A1 GLY 344 HA3 0.01 0.13 0.89 -0.51 4.01 4.53 2rl1A1 GLY 345 H 0.01 0.27 0.12 -0.55 8.43 8.28 2rl1A1 GLY 345 HA2 0.02 0.19 0.49 -0.51 4.01 4.21 2rl1A1 GLY 345 HA3 0.02 -0.08 0.11 -0.51 4.01 3.56 2rl1A1 LYS 346 H 0.03 0.29 0.18 -0.55 8.42 8.37 2rl1A1 LYS 346 HA -0.00 0.13 0.98 -0.75 4.32 4.67 2rl1A1 LYS 346 HB2 0.06 0.32 0.26 -0.04 1.87 2.47 2rl1A1 LYS 346 HB3 -0.00 -0.10 0.03 -0.04 1.79 1.68 2rl1A1 LYS 346 HG2 -0.00 0.14 -0.28 -0.04 1.46 1.28 2rl1A1 LYS 346 HG3 -0.05 -0.02 -0.03 -0.04 1.46 1.32 2rl1A1 LYS 346 HD2 -0.05 -0.09 0.01 -0.04 1.69 1.51 2rl1A1 LYS 346 HD3 -0.02 0.10 0.03 -0.04 1.68 1.75 2rl1A1 LYS 346 HE2 -0.02 0.09 -0.06 -0.04 2.99 2.96 2rl1A1 LYS 346 HE3 -0.06 -0.04 -0.02 -0.04 2.99 2.83 2rl1A1 ALA 347 H -0.02 0.32 0.17 -0.55 8.40 8.33 2rl1A1 ALA 347 HA -0.01 0.30 0.70 -0.75 4.34 4.57 2rl1A1 ALA 347 HB3 -0.05 -0.01 -0.20 -0.04 1.41 1.10 2rl1A1 GLU 348 H -0.07 0.52 0.28 -0.55 8.60 8.79 2rl1A1 GLU 348 HA -0.06 0.12 0.87 -0.75 4.29 4.46 2rl1A1 GLU 348 HB2 -0.03 0.05 -0.07 -0.04 2.09 1.99 2rl1A1 GLU 348 HB3 -0.04 -0.02 0.12 -0.04 1.99 2.01 2rl1A1 GLU 348 HG2 -0.04 0.01 -0.18 -0.04 2.34 2.09 2rl1A1 GLU 348 HG3 -0.04 -0.01 0.09 -0.04 2.34 2.35 2rl1A1 ILE 349 H -0.09 0.17 0.17 -0.55 8.25 7.95 2rl1A1 ILE 349 HA -0.19 0.27 1.13 -0.75 4.18 4.63 2rl1A1 ILE 349 HB -0.09 -0.02 0.08 -0.04 1.89 1.82 2rl1A1 ILE 349 HG12 -0.29 -0.04 -0.08 -0.04 1.49 1.05 2rl1A1 ILE 349 HG13 -0.53 0.03 -0.13 -0.04 1.21 0.53 2rl1A1 ILE 349 HG23 -0.05 -0.01 -0.13 -0.04 0.93 0.69 2rl1A1 ILE 349 HD13 -0.16 -0.04 -0.20 -0.04 0.88 0.44 2rl1A1 GLU 350 H -0.06 0.76 0.16 -0.55 8.60 8.92 2rl1A1 GLU 350 HA -0.01 0.08 0.64 -0.75 4.29 4.24 2rl1A1 GLU 350 HB2 -0.02 0.01 -0.02 -0.04 2.09 2.01 2rl1A1 GLU 350 HB3 -0.00 -0.04 0.07 -0.04 1.99 1.97 2rl1A1 GLU 350 HG2 -0.02 0.08 -0.18 -0.04 2.34 2.18 2rl1A1 GLU 350 HG3 -0.01 -0.02 -0.03 -0.04 2.34 2.24 2rl1A1 GLY 351 H 0.03 0.17 0.09 -0.55 8.43 8.17 2rl1A1 GLY 351 HA2 0.05 0.05 0.39 -0.51 4.01 3.99 2rl1A1 GLY 351 HA3 0.04 0.06 0.60 -0.51 4.01 4.20 2rl1A1 ASN 352 H 0.08 0.18 0.26 -0.55 8.53 8.50 2rl1A1 ASN 352 HA 0.24 0.23 0.87 -0.75 4.76 5.34 2rl1A1 ASN 352 HB2 0.06 0.20 0.34 -0.04 2.88 3.45 2rl1A1 ASN 352 HB3 0.06 -0.03 0.14 -0.04 2.79 2.91 2rl1A1 ASN 352 HD21 0.02 -0.00 -0.00 -0.04 7.03 7.01 2rl1A1 ASN 352 HD22 0.02 0.06 0.04 -0.04 7.74 7.83 2rl1A1 THR 353 H 0.11 0.31 -0.34 -0.55 8.28 7.82 2rl1A1 THR 353 HA 0.14 0.40 1.20 -0.75 4.39 5.39 2rl1A1 THR 353 HB 0.02 0.11 0.11 -0.04 4.32 4.51 2rl1A1 THR 353 HG23 -0.01 -0.01 -0.19 -0.04 1.22 0.97 2rl1A1 ALA 354 H -0.07 0.60 0.37 -0.55 8.40 8.75 2rl1A1 ALA 354 HA -0.25 0.30 1.02 -0.75 4.34 4.65 2rl1A1 ALA 354 HB3 -0.63 -0.02 -0.06 -0.04 1.41 0.65 2rl1A1 VAL 355 H -0.10 0.70 0.34 -0.55 8.24 8.63 2rl1A1 VAL 355 HA -0.03 0.30 1.14 -0.75 4.13 4.78 2rl1A1 VAL 355 HB -0.03 -0.04 0.19 -0.04 2.12 2.20 2rl1A1 VAL 355 HG13 -0.00 0.02 -0.09 -0.04 0.97 0.86 2rl1A1 VAL 355 HG23 -0.03 -0.01 -0.09 -0.04 0.95 0.78 2rl1A1 CYS 356 H -0.01 0.53 0.31 -0.55 8.50 8.77 2rl1A1 CYS 356 HA 0.01 0.21 1.11 -0.75 4.58 5.16 2rl1A1 CYS 356 HB2 0.01 -0.05 -0.05 -0.04 2.97 2.84 2rl1A1 CYS 356 HB3 0.02 0.16 -0.09 -0.04 2.97 3.02 2rl1A1 HIS 357 H 0.10 0.71 0.23 -0.55 8.41 8.91 2rl1A1 HIS 357 HA -0.01 0.09 0.85 -0.75 4.63 4.82 2rl1A1 HIS 357 HB2 -0.01 -0.09 -0.11 -0.04 3.26 3.00 2rl1A1 HIS 357 HB3 -0.01 -0.01 0.12 -0.04 3.20 3.25 2rl1A1 HIS 357 HD2 -0.01 -0.07 -0.05 -0.04 6.97 6.79 2rl1A1 HIS 357 HE1 -0.00 0.00 -0.01 -0.04 7.75 7.70 2rl1A1 GLY 358 H -0.13 0.46 0.11 -0.55 8.43 8.33 2rl1A1 GLY 358 HA2 0.03 0.02 0.33 -0.51 4.01 3.88 2rl1A1 GLY 358 HA3 -0.02 0.22 0.16 -0.51 4.01 3.86 2rl1A1 VAL 359 H 0.04 0.71 0.32 -0.55 8.24 8.76 2rl1A1 VAL 359 HA 0.07 0.05 0.96 -0.75 4.13 4.46 2rl1A1 VAL 359 HB 0.03 -0.13 0.14 -0.04 2.12 2.12 2rl1A1 VAL 359 HG13 0.06 0.05 0.00 -0.04 0.97 1.04 2rl1A1 VAL 359 HG23 0.03 0.11 -0.05 -0.04 0.95 1.00 2rl1A1 GLU 360 H 0.03 0.03 0.18 -0.55 8.60 8.29 2rl1A1 GLU 360 HA 0.01 0.18 0.47 -0.75 4.29 4.20 2rl1A1 GLU 360 HB2 0.02 -0.07 0.16 -0.04 2.09 2.16 2rl1A1 GLU 360 HB3 0.01 0.01 0.07 -0.04 1.99 2.04 2rl1A1 GLU 360 HG2 0.02 -0.05 0.06 -0.04 2.34 2.33 2rl1A1 GLU 360 HG3 0.02 0.06 0.04 -0.04 2.34 2.42 2rl1A1 GLN 361 H 0.02 0.08 0.04 -0.55 8.47 8.06 2rl1A1 GLN 361 HA 0.01 0.26 0.88 -0.75 4.36 4.75 2rl1A1 GLN 361 HB2 0.01 -0.14 0.03 -0.04 2.15 2.01 2rl1A1 GLN 361 HB3 0.01 0.10 0.01 -0.04 2.02 2.10 2rl1A1 GLN 361 HG2 0.01 0.12 0.13 -0.04 2.40 2.62 2rl1A1 GLN 361 HG3 0.01 0.04 -0.26 -0.04 2.39 2.13 2rl1A1 GLN 361 HE21 0.01 -0.07 0.00 -0.04 6.97 6.87 2rl1A1 GLN 361 HE22 0.01 0.02 -0.03 -0.04 7.69 7.65 2rl1A1 LEU 362 H 0.01 0.20 0.17 -0.55 8.37 8.20 2rl1A1 LEU 362 HA 0.01 0.24 0.77 -0.75 4.35 4.62 2rl1A1 LEU 362 HB2 0.01 -0.02 -0.03 -0.04 1.64 1.56 2rl1A1 LEU 362 HB3 0.01 0.04 0.02 -0.04 1.64 1.67 2rl1A1 LEU 362 HG 0.01 0.05 -0.19 -0.04 1.64 1.48 2rl1A1 LEU 362 HD13 0.01 -0.02 -0.11 -0.04 0.93 0.77 2rl1A1 LEU 362 HD23 0.02 0.01 -0.29 -0.04 0.89 0.58 2rl1A1 SER 363 H 0.01 0.95 0.36 -0.55 8.46 9.23 2rl1A1 SER 363 HA 0.01 -0.03 1.02 -0.75 4.49 4.74 2rl1A1 SER 363 HB2 0.01 -0.02 0.04 -0.04 3.95 3.94 2rl1A1 SER 363 HB3 0.01 -0.03 -0.08 -0.04 3.93 3.79 2rl1A1 GLY 364 H 0.01 0.60 0.13 -0.55 8.43 8.63 2rl1A1 GLY 364 HA2 0.01 -0.08 0.28 -0.51 4.01 3.71 2rl1A1 GLY 364 HA3 0.00 0.13 0.04 -0.51 4.01 3.67 2rl1A1 THR 365 H 0.01 0.22 0.35 -0.55 8.28 8.31 2rl1A1 THR 365 HA 0.01 0.04 0.43 -0.75 4.39 4.12 2rl1A1 THR 365 HB 0.01 0.23 0.05 -0.04 4.32 4.57 2rl1A1 THR 365 HG23 0.01 0.05 -0.30 -0.04 1.22 0.94 2rl1A1 GLU 366 H 0.02 0.15 0.20 -0.55 8.60 8.41 2rl1A1 GLU 366 HA 0.03 0.14 0.95 -0.75 4.29 4.66 2rl1A1 GLU 366 HB2 0.03 -0.02 0.12 -0.04 2.09 2.18 2rl1A1 GLU 366 HB3 0.02 -0.01 0.15 -0.04 1.99 2.12 2rl1A1 GLU 366 HG2 0.03 -0.06 -0.13 -0.04 2.34 2.13 2rl1A1 GLU 366 HG3 0.04 0.15 0.11 -0.04 2.34 2.60 2rl1A1 VAL 367 H 0.03 0.77 0.50 -0.55 8.24 8.99 2rl1A1 VAL 367 HA 0.02 0.15 0.80 -0.75 4.13 4.34 2rl1A1 VAL 367 HB 0.02 -0.11 0.00 -0.04 2.12 2.00 2rl1A1 VAL 367 HG13 0.02 0.03 -0.23 -0.04 0.97 0.75 2rl1A1 VAL 367 HG23 0.03 -0.01 -0.12 -0.04 0.95 0.81 2rl1A1 ILE 368 H 0.01 0.20 0.15 -0.55 8.25 8.06 2rl1A1 ILE 368 HA -0.00 0.14 1.13 -0.75 4.18 4.70 2rl1A1 ILE 368 HB 0.00 -0.02 0.05 -0.04 1.89 1.89 2rl1A1 ILE 368 HG12 0.01 0.02 -0.08 -0.04 1.49 1.40 2rl1A1 ILE 368 HG13 0.01 0.01 -0.38 -0.04 1.21 0.80 2rl1A1 ILE 368 HG23 0.01 0.02 -0.18 -0.04 0.93 0.74 2rl1A1 ILE 368 HD13 0.01 0.01 -0.05 -0.04 0.88 0.81 2rl1A1 ALA 369 H -0.02 0.62 0.19 -0.55 8.40 8.64 2rl1A1 ALA 369 HA -0.02 0.00 0.63 -0.75 4.34 4.19 2rl1A1 ALA 369 HB3 -0.02 0.03 -0.05 -0.04 1.41 1.32 2rl1A1 THR 370 H -0.15 -0.20 0.19 -0.55 8.28 7.58 2rl1A1 THR 370 HA -0.84 0.24 0.69 -0.75 4.39 3.74 2rl1A1 THR 370 HB -0.22 -0.00 0.09 -0.04 4.32 4.14 2rl1A1 THR 370 HG23 -0.06 0.06 -0.38 -0.04 1.22 0.80 2rl1A1 ASP 371 H -0.18 -0.04 0.16 -0.55 8.40 7.79 2rl1A1 ASP 371 HA -0.19 0.24 0.89 -0.75 4.63 4.82 2rl1A1 ASP 371 HB2 -0.08 0.15 -0.03 -0.04 2.71 2.71 2rl1A1 ASP 371 HB3 -0.04 -0.17 0.17 -0.04 2.70 2.61 2rl1A1 LEU 372 H -0.06 0.24 0.10 -0.55 8.37 8.11 2rl1A1 LEU 372 HA 0.07 0.15 0.03 -0.75 4.35 3.84 2rl1A1 LEU 372 HB2 0.02 0.07 0.08 -0.04 1.64 1.76 2rl1A1 LEU 372 HB3 0.03 0.04 0.13 -0.04 1.64 1.81 2rl1A1 LEU 372 HG -0.05 0.01 -0.26 -0.04 1.64 1.30 2rl1A1 LEU 372 HD13 -0.02 0.03 -0.11 -0.04 0.93 0.78 2rl1A1 LEU 372 HD23 -0.06 -0.07 0.06 -0.04 0.89 0.79 2rl1A1 ARG 373 H -0.01 -0.10 -0.27 -0.55 8.46 7.52 2rl1A1 ARG 373 HA 0.13 0.35 1.01 -0.75 4.34 5.07 2rl1A1 ARG 373 HB2 -0.03 -0.08 0.06 -0.04 1.90 1.81 2rl1A1 ARG 373 HB3 0.03 0.03 0.01 -0.04 1.80 1.83 2rl1A1 ARG 373 HG2 -0.05 -0.09 0.03 -0.04 1.67 1.52 2rl1A1 ARG 373 HG3 -0.05 0.10 0.07 -0.04 1.67 1.75 2rl1A1 ARG 373 HD2 -0.26 0.08 -0.20 -0.04 3.22 2.80 2rl1A1 ARG 373 HD3 -0.14 -0.08 -0.04 -0.04 3.22 2.92 2rl1A1 ALA 374 H 0.01 -0.04 0.00 -0.55 8.40 7.83 2rl1A1 ALA 374 HA 0.00 0.13 0.40 -0.75 4.34 4.12 2rl1A1 ALA 374 HB3 0.02 0.01 0.07 -0.04 1.41 1.46 2rl1A1 SER 375 H 0.01 0.34 -0.08 -0.55 8.46 8.18 2rl1A1 SER 375 HA 0.01 0.08 0.30 -0.75 4.49 4.13 2rl1A1 SER 375 HB2 0.01 0.24 -0.02 -0.04 3.95 4.14 2rl1A1 SER 375 HB3 -0.00 0.08 0.08 -0.04 3.93 4.05 2rl1A1 ILE 376 H 0.02 0.31 -0.74 -0.55 8.25 7.29 2rl1A1 ILE 376 HA -0.10 0.02 0.30 -0.75 4.18 3.64 2rl1A1 ILE 376 HB -0.24 0.10 0.03 -0.04 1.89 1.74 2rl1A1 ILE 376 HG12 -0.55 -0.05 -0.01 -0.04 1.49 0.84 2rl1A1 ILE 376 HG13 -1.20 0.03 -0.03 -0.04 1.21 -0.03 2rl1A1 ILE 376 HG23 -0.13 0.01 -0.17 -0.04 0.93 0.59 2rl1A1 ILE 376 HD13 -0.28 -0.01 -0.03 -0.04 0.88 0.52 2rl1A1 SER 377 H -0.06 0.46 -0.37 -0.55 8.46 7.95 2rl1A1 SER 377 HA -0.07 0.10 0.25 -0.75 4.49 4.02 2rl1A1 SER 377 HB2 -0.06 0.11 -0.15 -0.04 3.95 3.81 2rl1A1 SER 377 HB3 -0.12 -0.12 -0.23 -0.04 3.93 3.41 2rl1A1 LEU 378 H -0.01 0.35 -0.36 -0.55 8.37 7.81 2rl1A1 LEU 378 HA 0.02 0.14 0.33 -0.75 4.35 4.09 2rl1A1 LEU 378 HB2 0.03 0.03 -0.04 -0.04 1.64 1.62 2rl1A1 LEU 378 HB3 0.03 0.05 -0.13 -0.04 1.64 1.55 2rl1A1 LEU 378 HG 0.04 -0.12 0.00 -0.04 1.64 1.52 2rl1A1 LEU 378 HD13 0.03 -0.02 -0.22 -0.04 0.93 0.67 2rl1A1 LEU 378 HD23 0.07 0.01 -0.16 -0.04 0.89 0.77 2rl1A1 VAL 379 H -0.00 0.19 -0.22 -0.55 8.24 7.66 2rl1A1 VAL 379 HA 0.03 0.07 0.36 -0.75 4.13 3.84 2rl1A1 VAL 379 HB -0.05 0.11 0.05 -0.04 2.12 2.19 2rl1A1 VAL 379 HG13 -0.11 0.01 -0.19 -0.04 0.97 0.63 2rl1A1 VAL 379 HG23 0.18 -0.02 -0.06 -0.04 0.95 1.00 2rl1A1 LEU 380 H -0.05 0.42 -0.21 -0.55 8.37 7.98 2rl1A1 LEU 380 HA -0.04 0.06 0.30 -0.75 4.35 3.92 2rl1A1 LEU 380 HB2 -0.06 -0.01 0.05 -0.04 1.64 1.58 2rl1A1 LEU 380 HB3 -0.05 0.10 -0.16 -0.04 1.64 1.49 2rl1A1 LEU 380 HG -0.06 0.07 -0.08 -0.04 1.64 1.53 2rl1A1 LEU 380 HD13 -0.10 -0.00 -0.11 -0.04 0.93 0.67 2rl1A1 LEU 380 HD23 -0.12 -0.00 -0.15 -0.04 0.89 0.58 2rl1A1 ALA 381 H -0.01 0.34 -0.36 -0.55 8.40 7.81 2rl1A1 ALA 381 HA -0.00 0.09 0.30 -0.75 4.34 3.97 2rl1A1 ALA 381 HB3 0.01 0.02 -0.00 -0.04 1.41 1.40 2rl1A1 GLY 382 H -0.00 0.30 -0.43 -0.55 8.43 7.76 2rl1A1 GLY 382 HA2 -0.00 0.01 0.22 -0.51 4.01 3.73 2rl1A1 GLY 382 HA3 -0.01 -0.05 0.17 -0.51 4.01 3.61 2rl1A1 CYS 383 H -0.01 0.23 -0.46 -0.55 8.50 7.71 2rl1A1 CYS 383 HA 0.00 0.10 0.27 -0.75 4.58 4.19 2rl1A1 CYS 383 HB2 -0.01 0.18 0.05 -0.04 2.97 3.15 2rl1A1 CYS 383 HB3 -0.00 -0.02 -0.04 -0.04 2.97 2.87 2rl1A1 ILE 384 H -0.00 0.24 -0.36 -0.55 8.25 7.57 2rl1A1 ILE 384 HA 0.01 0.08 1.02 -0.75 4.18 4.53 2rl1A1 ILE 384 HB 0.00 0.02 0.17 -0.04 1.89 2.04 2rl1A1 ILE 384 HG12 -0.01 0.02 0.02 -0.04 1.49 1.48 2rl1A1 ILE 384 HG13 0.00 -0.00 -0.22 -0.04 1.21 0.95 2rl1A1 ILE 384 HG23 -0.00 0.04 -0.15 -0.04 0.93 0.77 2rl1A1 ILE 384 HD13 -0.01 -0.02 -0.07 -0.04 0.88 0.75 2rl1A1 ALA 385 H 0.01 0.31 -0.25 -0.55 8.40 7.91 2rl1A1 ALA 385 HA 0.01 0.09 0.53 -0.75 4.34 4.22 2rl1A1 ALA 385 HB3 0.01 -0.05 -0.30 -0.04 1.41 1.03 2rl1A1 THR 386 H 0.02 0.51 0.30 -0.55 8.28 8.55 2rl1A1 THR 386 HA 0.03 -0.03 0.62 -0.75 4.39 4.25 2rl1A1 THR 386 HB 0.02 -0.08 0.16 -0.04 4.32 4.38 2rl1A1 THR 386 HG23 0.01 0.06 0.14 -0.04 1.22 1.39 2rl1A1 GLY 387 H 0.04 0.06 0.25 -0.55 8.43 8.24 2rl1A1 GLY 387 HA2 0.08 -0.02 0.41 -0.51 4.01 3.97 2rl1A1 GLY 387 HA3 0.04 0.05 0.47 -0.51 4.01 4.07 2rl1A1 GLU 388 H 0.03 0.11 0.20 -0.55 8.60 8.39 2rl1A1 GLU 388 HA -0.12 0.35 1.04 -0.75 4.29 4.80 2rl1A1 GLU 388 HB2 0.05 -0.06 -0.01 -0.04 2.09 2.04 2rl1A1 GLU 388 HB3 -0.02 -0.05 0.05 -0.04 1.99 1.93 2rl1A1 GLU 388 HG2 -0.20 0.03 -0.27 -0.04 2.34 1.86 2rl1A1 GLU 388 HG3 -0.75 0.05 -0.07 -0.04 2.34 1.53 2rl1A1 THR 389 H -0.16 0.76 0.36 -0.55 8.28 8.70 2rl1A1 THR 389 HA -0.02 0.16 1.00 -0.75 4.39 4.78 2rl1A1 THR 389 HB -0.02 -0.01 0.08 -0.04 4.32 4.33 2rl1A1 THR 389 HG23 0.02 0.03 -0.13 -0.04 1.22 1.10 2rl1A1 ILE 390 H 0.02 0.44 0.10 -0.55 8.25 8.26 2rl1A1 ILE 390 HA 0.11 0.40 1.19 -0.75 4.18 5.13 2rl1A1 ILE 390 HB 0.07 -0.10 0.14 -0.04 1.89 1.96 2rl1A1 ILE 390 HG12 0.02 -0.03 -0.33 -0.04 1.49 1.11 2rl1A1 ILE 390 HG13 0.08 -0.01 -0.10 -0.04 1.21 1.14 2rl1A1 ILE 390 HG23 0.20 -0.01 -0.20 -0.04 0.93 0.89 2rl1A1 ILE 390 HD13 0.09 0.04 -0.07 -0.04 0.88 0.89 2rl1A1 VAL 391 H 0.13 0.53 0.25 -0.55 8.24 8.60 2rl1A1 VAL 391 HA 0.04 0.28 0.96 -0.75 4.13 4.66 2rl1A1 VAL 391 HB 0.17 -0.12 0.14 -0.04 2.12 2.28 2rl1A1 VAL 391 HG13 0.04 -0.01 -0.21 -0.04 0.97 0.75 2rl1A1 VAL 391 HG23 0.08 0.02 -0.26 -0.04 0.95 0.76 2rl1A1 ASP 392 H -0.00 0.73 0.40 -0.55 8.40 8.98 2rl1A1 ASP 392 HA -0.10 0.13 0.79 -0.75 4.63 4.70 2rl1A1 ASP 392 HB2 -0.01 0.07 0.04 -0.04 2.71 2.77 2rl1A1 ASP 392 HB3 -0.01 -0.02 0.09 -0.04 2.70 2.72 2rl1A1 ARG 393 H -0.08 0.30 0.20 -0.55 8.46 8.33 2rl1A1 ARG 393 HA -0.00 0.05 0.40 -0.75 4.34 4.04 2rl1A1 ARG 393 HB2 -0.04 0.19 0.18 -0.04 1.90 2.19 2rl1A1 ARG 393 HB3 -0.20 -0.06 0.21 -0.04 1.80 1.71 2rl1A1 ARG 393 HG2 0.05 0.04 0.04 -0.04 1.67 1.76 2rl1A1 ARG 393 HG3 0.01 -0.03 -0.21 -0.04 1.67 1.40 2rl1A1 ARG 393 HD2 0.18 -0.02 0.03 -0.04 3.22 3.38 2rl1A1 ARG 393 HD3 0.07 0.03 -0.01 -0.04 3.22 3.27 2rl1A1 ILE 394 H -0.23 0.45 -0.09 -0.55 8.25 7.84 2rl1A1 ILE 394 HA -0.18 0.04 0.31 -0.75 4.18 3.60 2rl1A1 ILE 394 HB -0.62 -0.08 -0.00 -0.04 1.89 1.15 2rl1A1 ILE 394 HG12 -0.40 0.27 -0.33 -0.04 1.49 0.99 2rl1A1 ILE 394 HG13 -0.36 -0.05 -0.35 -0.04 1.21 0.40 2rl1A1 ILE 394 HG23 -0.56 0.05 -0.13 -0.04 0.93 0.25 2rl1A1 ILE 394 HD13 -1.18 0.00 -0.31 -0.04 0.88 -0.65 2rl1A1 TYR 395 H -0.11 0.15 -0.57 -0.55 8.29 7.21 2rl1A1 TYR 395 HA -0.12 0.06 0.32 -0.75 4.56 4.06 2rl1A1 TYR 395 HB2 -0.15 0.04 0.05 -0.04 3.06 2.96 2rl1A1 TYR 395 HB3 -0.16 0.02 0.07 -0.04 2.98 2.86 2rl1A1 TYR 395 HD2 -0.24 -0.04 -0.16 -0.04 7.15 6.67 2rl1A1 TYR 395 HE2 -0.30 0.02 -0.01 -0.04 6.85 6.53 2rl1A1 HIS 396 H -0.73 0.41 -0.43 -0.55 8.41 7.11 2rl1A1 HIS 396 HA -0.13 0.08 0.32 -0.75 4.63 4.15 2rl1A1 HIS 396 HB2 -0.28 0.09 -0.16 -0.04 3.26 2.87 2rl1A1 HIS 396 HB3 -0.14 -0.17 -0.52 -0.04 3.20 2.33 2rl1A1 HIS 396 HD2 -0.46 0.30 -0.21 -0.04 6.97 6.55 2rl1A1 HIS 396 HE1 0.04 0.03 0.02 -0.04 7.75 7.80 2rl1A1 ILE 397 H -0.02 0.19 -0.23 -0.55 8.25 7.65 2rl1A1 ILE 397 HA 0.19 0.10 0.36 -0.75 4.18 4.08 2rl1A1 ILE 397 HB 0.07 0.14 0.06 -0.04 1.89 2.13 2rl1A1 ILE 397 HG12 -0.01 -0.06 0.01 -0.04 1.49 1.39 2rl1A1 ILE 397 HG13 0.09 0.05 -0.08 -0.04 1.21 1.24 2rl1A1 ILE 397 HG23 0.18 -0.00 -0.11 -0.04 0.93 0.96 2rl1A1 ILE 397 HD13 0.05 0.00 -0.28 -0.04 0.88 0.61 2rl1A1 ASP 398 H 0.03 0.44 -0.24 -0.55 8.40 8.09 2rl1A1 ASP 398 HA 0.10 0.13 0.46 -0.75 4.63 4.56 2rl1A1 ASP 398 HB2 0.04 0.16 0.11 -0.04 2.71 2.97 2rl1A1 ASP 398 HB3 0.04 -0.07 0.13 -0.04 2.70 2.75 2rl1A1 ARG 399 H 0.06 0.43 -0.51 -0.55 8.46 7.89 2rl1A1 ARG 399 HA 0.02 -0.15 0.62 -0.75 4.34 4.08 2rl1A1 ARG 399 HB2 0.05 0.28 0.21 -0.04 1.90 2.41 2rl1A1 ARG 399 HB3 0.02 -0.11 0.01 -0.04 1.80 1.69 2rl1A1 ARG 399 HG2 0.04 -0.09 0.03 -0.04 1.67 1.61 2rl1A1 ARG 399 HG3 0.08 0.16 0.06 -0.04 1.67 1.93 2rl1A1 ARG 399 HD2 0.09 0.08 0.02 -0.04 3.22 3.38 2rl1A1 ARG 399 HD3 0.12 -0.06 0.06 -0.04 3.22 3.29 2rl1A1 GLY 400 H 0.03 0.45 -0.04 -0.55 8.43 8.33 2rl1A1 GLY 400 HA2 -0.16 0.07 0.87 -0.51 4.01 4.28 2rl1A1 GLY 400 HA3 -0.27 0.02 0.27 -0.51 4.01 3.52 2rl1A1 TYR 401 H 0.07 0.35 -0.07 -0.55 8.29 8.09 2rl1A1 TYR 401 HA 0.02 0.04 0.72 -0.75 4.56 4.59 2rl1A1 TYR 401 HB2 0.05 0.01 -0.01 -0.04 3.06 3.07 2rl1A1 TYR 401 HB3 0.05 0.02 -0.04 -0.04 2.98 2.97 2rl1A1 TYR 401 HD2 -0.02 0.02 0.02 -0.04 7.15 7.13 2rl1A1 TYR 401 HE2 -0.08 -0.01 0.05 -0.04 6.85 6.77 2rl1A1 GLU 402 H 0.12 0.14 0.08 -0.55 8.60 8.39 2rl1A1 GLU 402 HA -0.09 0.26 0.89 -0.75 4.29 4.60 2rl1A1 GLU 402 HB2 -0.33 0.13 0.14 -0.04 2.09 1.99 2rl1A1 GLU 402 HB3 -0.06 -0.11 -0.09 -0.04 1.99 1.69 2rl1A1 GLU 402 HG2 0.08 -0.06 0.08 -0.04 2.34 2.41 2rl1A1 GLU 402 HG3 0.12 0.07 -0.10 -0.04 2.34 2.39 2rl1A1 HIS 403 H -0.26 0.24 0.23 -0.55 8.41 8.08 2rl1A1 HIS 403 HA 0.09 0.02 0.37 -0.75 4.63 4.36 2rl1A1 HIS 403 HB2 0.07 0.14 -0.01 -0.04 3.26 3.42 2rl1A1 HIS 403 HB3 0.05 -0.03 0.19 -0.04 3.20 3.37 2rl1A1 HIS 403 HD2 0.04 0.03 -0.09 -0.04 6.97 6.91 2rl1A1 HIS 403 HE1 0.03 0.04 0.04 -0.04 7.75 7.83 2rl1A1 ILE 404 H 0.16 0.14 -0.41 -0.55 8.25 7.59 2rl1A1 ILE 404 HA 0.19 0.15 0.23 -0.75 4.18 4.00 2rl1A1 ILE 404 HB 0.16 0.03 -0.14 -0.04 1.89 1.89 2rl1A1 ILE 404 HG12 -0.09 -0.02 -0.11 -0.04 1.49 1.23 2rl1A1 ILE 404 HG13 -0.05 0.03 -0.20 -0.04 1.21 0.95 2rl1A1 ILE 404 HG23 0.20 -0.00 -0.14 -0.04 0.93 0.95 2rl1A1 ILE 404 HD13 -0.06 0.01 -0.05 -0.04 0.88 0.74 2rl1A1 GLU 405 H 0.08 0.05 -0.23 -0.55 8.60 7.95 2rl1A1 GLU 405 HA -0.17 0.13 0.35 -0.75 4.29 3.84 2rl1A1 GLU 405 HB2 0.03 0.03 -0.04 -0.04 2.09 2.06 2rl1A1 GLU 405 HB3 -0.12 0.14 -0.05 -0.04 1.99 1.93 2rl1A1 GLU 405 HG2 0.07 0.05 -0.09 -0.04 2.34 2.33 2rl1A1 GLU 405 HG3 -0.18 -0.06 -0.07 -0.04 2.34 1.99 2rl1A1 ASP 406 H 0.08 0.04 -0.19 -0.55 8.40 7.78 2rl1A1 ASP 406 HA 0.00 0.12 0.48 -0.75 4.63 4.48 2rl1A1 ASP 406 HB2 0.06 0.07 0.15 -0.04 2.71 2.95 2rl1A1 ASP 406 HB3 -0.01 0.05 0.03 -0.04 2.70 2.73 2rl1A1 LYS 407 H 0.07 0.50 -0.08 -0.55 8.42 8.36 2rl1A1 LYS 407 HA -0.08 0.07 0.45 -0.75 4.32 4.00 2rl1A1 LYS 407 HB2 0.17 0.03 0.05 -0.04 1.87 2.08 2rl1A1 LYS 407 HB3 -0.35 -0.02 -0.01 -0.04 1.79 1.37 2rl1A1 LYS 407 HG2 -0.01 -0.05 0.03 -0.04 1.46 1.39 2rl1A1 LYS 407 HG3 0.14 0.20 0.06 -0.04 1.46 1.82 2rl1A1 LYS 407 HD2 0.31 -0.04 -0.03 -0.04 1.69 1.89 2rl1A1 LYS 407 HD3 -0.09 -0.01 -0.01 -0.04 1.68 1.54 2rl1A1 LYS 407 HE2 0.09 -0.03 0.01 -0.04 2.99 3.02 2rl1A1 LYS 407 HE3 0.20 0.03 -0.06 -0.04 2.99 3.13 2rl1A1 LEU 408 H 0.04 0.37 -0.27 -0.55 8.37 7.96 2rl1A1 LEU 408 HA 0.06 0.09 0.44 -0.75 4.35 4.18 2rl1A1 LEU 408 HB2 -0.04 0.04 0.11 -0.04 1.64 1.71 2rl1A1 LEU 408 HB3 -0.02 0.00 -0.09 -0.04 1.64 1.49 2rl1A1 LEU 408 HG 0.17 -0.00 -0.03 -0.04 1.64 1.74 2rl1A1 LEU 408 HD13 -0.09 -0.03 -0.17 -0.04 0.93 0.60 2rl1A1 LEU 408 HD23 0.13 0.01 -0.10 -0.04 0.89 0.89 2rl1A1 ARG 409 H -0.02 0.61 -0.02 -0.55 8.46 8.48 2rl1A1 ARG 409 HA -0.02 0.31 0.51 -0.75 4.34 4.39 2rl1A1 ARG 409 HB2 -0.01 0.02 0.25 -0.04 1.90 2.12 2rl1A1 ARG 409 HB3 -0.01 -0.04 0.03 -0.04 1.80 1.74 2rl1A1 ARG 409 HG2 -0.01 0.20 0.19 -0.04 1.67 2.01 2rl1A1 ARG 409 HG3 -0.03 -0.01 0.12 -0.04 1.67 1.72 2rl1A1 ARG 409 HD2 0.00 -0.01 0.06 -0.04 3.22 3.24 2rl1A1 ARG 409 HD3 0.01 0.04 0.11 -0.04 3.22 3.33 2rl1A1 GLY 410 H -0.03 0.42 -0.35 -0.55 8.43 7.92 2rl1A1 GLY 410 HA2 -0.03 -0.01 0.42 -0.51 4.01 3.87 2rl1A1 GLY 410 HA3 -0.05 0.02 0.34 -0.51 4.01 3.80 2rl1A1 LEU 411 H -0.03 0.38 -0.81 -0.55 8.37 7.37 2rl1A1 LEU 411 HA -0.03 0.31 0.88 -0.75 4.35 4.75 2rl1A1 LEU 411 HB2 -0.00 0.07 0.04 -0.04 1.64 1.71 2rl1A1 LEU 411 HB3 -0.00 -0.14 -0.01 -0.04 1.64 1.44 2rl1A1 LEU 411 HG -0.12 0.22 -0.17 -0.04 1.64 1.53 2rl1A1 LEU 411 HD13 0.00 -0.05 -0.19 -0.04 0.93 0.65 2rl1A1 LEU 411 HD23 -0.08 -0.00 -0.49 -0.04 0.89 0.28 2rl1A1 GLY 412 H -0.02 0.58 -0.09 -0.55 8.43 8.36 2rl1A1 GLY 412 HA2 -0.01 -0.03 0.35 -0.51 4.01 3.81 2rl1A1 GLY 412 HA3 -0.00 0.19 0.80 -0.51 4.01 4.48 2rl1A1 ALA 413 H -0.00 0.26 -0.09 -0.55 8.40 8.02 2rl1A1 ALA 413 HA 0.01 0.19 0.41 -0.75 4.34 4.20 2rl1A1 ALA 413 HB3 -0.01 -0.04 -0.19 -0.04 1.41 1.13 2rl1A1 LYS 414 H 0.04 0.33 0.13 -0.55 8.42 8.36 2rl1A1 LYS 414 HA 0.04 0.13 0.83 -0.75 4.32 4.56 2rl1A1 LYS 414 HB2 0.16 0.03 0.27 -0.04 1.87 2.28 2rl1A1 LYS 414 HB3 0.17 -0.07 0.07 -0.04 1.79 1.92 2rl1A1 LYS 414 HG2 0.02 -0.06 0.02 -0.04 1.46 1.39 2rl1A1 LYS 414 HG3 0.02 0.01 -0.04 -0.04 1.46 1.41 2rl1A1 LYS 414 HD2 0.02 0.15 0.01 -0.04 1.69 1.83 2rl1A1 LYS 414 HD3 0.05 0.16 0.07 -0.04 1.68 1.92 2rl1A1 LYS 414 HE2 -0.00 -0.11 0.02 -0.04 2.99 2.85 2rl1A1 LYS 414 HE3 0.00 -0.05 0.03 -0.04 2.99 2.92 2rl1A1 ILE 415 H 0.01 0.31 0.06 -0.55 8.25 8.07 2rl1A1 ILE 415 HA -0.01 0.43 1.09 -0.75 4.18 4.94 2rl1A1 ILE 415 HB -0.13 0.05 -0.22 -0.04 1.89 1.56 2rl1A1 ILE 415 HG12 -0.32 -0.07 -0.40 -0.04 1.49 0.67 2rl1A1 ILE 415 HG13 -0.23 0.04 -0.15 -0.04 1.21 0.84 2rl1A1 ILE 415 HG23 -0.12 -0.01 -0.06 -0.04 0.93 0.70 2rl1A1 ILE 415 HD13 -1.05 -0.04 -0.17 -0.04 0.88 -0.42 2rl1A1 GLU 416 H 0.08 0.62 0.33 -0.55 8.60 9.09 2rl1A1 GLU 416 HA 0.09 0.11 0.88 -0.75 4.29 4.62 2rl1A1 GLU 416 HB2 0.10 0.05 -0.15 -0.04 2.09 2.04 2rl1A1 GLU 416 HB3 0.12 -0.01 0.03 -0.04 1.99 2.09 2rl1A1 GLU 416 HG2 0.09 -0.00 -0.02 -0.04 2.34 2.36 2rl1A1 GLU 416 HG3 0.15 0.12 -0.11 -0.04 2.34 2.45 2rl1A1 ARG 417 H 0.20 0.14 0.17 -0.55 8.46 8.42 2rl1A1 ARG 417 HA 0.41 0.25 0.88 -0.75 4.34 5.13 2rl1A1 ARG 417 HB2 0.42 -0.09 0.08 -0.04 1.90 2.27 2rl1A1 ARG 417 HB3 0.19 -0.00 0.17 -0.04 1.80 2.11 2rl1A1 ARG 417 HG2 0.06 0.08 -0.15 -0.04 1.67 1.62 2rl1A1 ARG 417 HG3 0.01 -0.01 0.02 -0.04 1.67 1.65 2rl1A1 ARG 417 HD2 0.10 0.03 -0.02 -0.04 3.22 3.29 2rl1A1 ARG 417 HD3 0.03 -0.02 -0.04 -0.04 3.22 3.15 2rl1A1 PHE 418 H 0.02 0.58 0.40 -0.55 8.34 8.78 2rl1A1 PHE 418 HA 0.04 0.14 0.70 -0.75 4.62 4.75 2rl1A1 PHE 418 HB2 0.04 -0.01 0.13 -0.04 3.15 3.27 2rl1A1 PHE 418 HB3 0.06 0.03 -0.25 -0.04 3.06 2.86 2rl1A1 PHE 418 HD2 0.05 0.09 -0.19 -0.04 7.28 7.18 2rl1A1 PHE 418 HE2 0.02 0.13 -0.43 -0.04 7.38 7.07 2rl1A1 PHE 418 HZ 0.01 -0.03 -0.18 -0.04 7.32 7.08 2rl1A1 SER 419 H 0.22 0.31 0.20 -0.55 8.46 8.64 2rl1A1 SER 419 HA -0.29 0.22 0.71 -0.75 4.49 4.38 2rl1A1 SER 419 HB2 -0.05 0.08 -0.06 -0.04 3.95 3.89 2rl1A1 SER 419 HB3 -0.07 -0.04 -0.22 -0.04 3.93 3.56 2rl1A1 GLY 420 H -0.05 0.22 0.05 -0.55 8.43 8.10 2rl1A1 GLY 420 HA2 0.04 0.06 0.19 -0.51 4.01 3.79 2rl1A1 GLY 420 HA3 0.09 0.18 0.48 -0.51 4.01 4.26