============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 3 1.000 54.370 36.350 14.110 -99.200 -91.000 TYR 4 0.840 54.912 39.264 22.407 -99.200 -91.000 TRP 13 1.040 47.728 32.368 23.608 -99.200 -91.000 TRP6 13 1.020 45.955 33.458 22.503 -99.200 -91.000 TYR 19 0.840 47.857 42.387 17.019 -99.200 -91.000 TYR 30 0.840 34.488 25.376 15.774 -99.200 -91.000 PHE 37 1.000 47.175 49.936 23.159 -99.200 -91.000 PHE 54 1.000 45.255 24.578 8.969 -99.200 -91.000 HIS 59 0.900 39.370 19.343 14.247 -99.200 -91.000 TYR 64 0.840 38.389 28.181 2.422 -99.200 -91.000 HIS 72 0.900 30.799 38.527 2.439 -99.200 -91.000 HIS 75 0.900 25.726 45.603 9.822 -99.200 -91.000 PHE 85 1.000 48.515 37.155 14.768 -99.200 -91.000 PHE 94 1.000 48.343 28.274 7.688 -99.200 -91.000 TYR 98 0.840 48.128 32.855 17.147 -99.200 -91.000 HIS 102 0.900 36.808 46.910 15.626 -99.200 -91.000 HIS 121 0.900 19.169 50.365 28.837 -99.200 -91.000 PHE 124 1.000 21.430 51.082 20.661 -99.200 -91.000 TYR 127 0.840 17.931 49.537 14.559 -99.200 -91.000 TYR 135 0.840 26.861 42.803 6.151 -99.200 -91.000 HIS 137 0.900 18.898 36.045 8.484 -99.200 -91.000 HIS 143 0.900 24.787 32.838 15.161 -99.200 -91.000 PHE 164 1.000 29.361 36.124 11.548 -99.200 -91.000 TRP 171 1.040 17.628 26.246 27.743 -99.200 -91.000 TRP6 171 1.020 18.728 27.397 29.489 -99.200 -91.000 TYR 172 0.840 18.609 31.343 24.368 -99.200 -91.000 TRP 181 1.040 12.068 20.506 7.144 -99.200 -91.000 TRP6 181 1.020 11.377 22.739 6.767 -99.200 -91.000 HIS 183 0.900 14.758 19.685 2.844 -99.200 -91.000 TYR 184 0.840 18.406 24.669 8.844 -99.200 -91.000 TRP 191 1.040 12.064 29.800 18.134 -99.200 -91.000 TRP6 191 1.020 9.721 29.564 18.084 -99.200 -91.000 PHE 207 1.000 9.399 28.960 23.991 -99.200 -91.000 HIS 212 0.900 17.293 18.008 20.185 -99.200 -91.000 TYR 242 0.840 6.828 14.184 20.278 -99.200 -91.000 PHE 254 1.000 3.107 34.978 21.634 -99.200 -91.000 PHE 258 1.000 6.021 37.009 26.098 -99.200 -91.000 HIS 289 0.900 6.516 45.782 15.342 -99.200 -91.000 TYR 291 0.840 10.134 46.939 21.017 -99.200 -91.000 PHE 292 1.000 13.008 46.727 16.623 -99.200 -91.000 TYR 295 0.840 16.855 52.907 19.333 -99.200 -91.000 HIS 296 0.900 13.447 51.118 9.632 -99.200 -91.000 TYR 307 0.840 30.592 33.679 2.473 -99.200 -91.000 PHE 311 1.000 33.474 27.427 2.183 -99.200 -91.000 TRP 321 1.040 38.917 21.207 3.129 -99.200 -91.000 TRP6 321 1.020 37.436 22.702 2.050 -99.200 -91.000 TYR 326 0.840 50.736 30.302 3.710 -99.200 -91.000 PHE 332 1.000 42.814 40.924 6.969 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hl7A1 PRO 5 HA 0.01 -0.05 0.16 -0.51 4.44 4.05 3hl7A1 PRO 5 HB2 -0.15 -0.09 0.01 -0.04 2.28 2.01 3hl7A1 PRO 5 HB3 -0.08 0.01 0.05 -0.04 2.02 1.96 3hl7A1 PRO 5 HG2 -0.28 -0.03 -0.15 -0.04 2.03 1.53 3hl7A1 PRO 5 HG3 -0.15 -0.00 -0.03 -0.04 2.03 1.81 3hl7A1 PRO 5 HD2 0.12 0.04 0.01 -0.04 3.68 3.82 3hl7A1 PRO 5 HD3 0.03 0.03 0.03 -0.04 3.65 3.69 3hl7A1 THR 6 H -0.02 0.08 0.10 -0.55 8.28 7.89 3hl7A1 THR 6 HA 0.14 0.12 0.64 -0.75 4.39 4.52 3hl7A1 THR 6 HB 0.01 -0.08 0.15 -0.04 4.32 4.36 3hl7A1 THR 6 HG23 0.07 0.05 -0.04 -0.04 1.22 1.27 3hl7A1 PHE 7 H 0.36 0.15 0.17 -0.55 8.34 8.47 3hl7A1 PHE 7 HA 0.01 0.14 0.60 -0.75 4.62 4.61 3hl7A1 PHE 7 HB2 0.02 -0.02 0.01 -0.04 3.15 3.12 3hl7A1 PHE 7 HB3 -0.02 -0.01 -0.17 -0.04 3.06 2.82 3hl7A1 PHE 7 HD2 -0.05 0.03 -0.39 -0.04 7.28 6.82 3hl7A1 PHE 7 HE2 0.01 0.07 -0.17 -0.04 7.38 7.24 3hl7A1 PHE 7 HZ 0.06 0.03 -0.22 -0.04 7.32 7.14 3hl7A1 TYR 8 H 0.02 0.73 0.26 -0.55 8.29 8.74 3hl7A1 TYR 8 HA 0.09 0.07 0.51 -0.75 4.56 4.48 3hl7A1 TYR 8 HB2 0.05 -0.03 0.11 -0.04 3.06 3.14 3hl7A1 TYR 8 HB3 0.03 0.03 -0.12 -0.04 2.98 2.87 3hl7A1 TYR 8 HD2 0.01 -0.01 -0.22 -0.04 7.15 6.89 3hl7A1 TYR 8 HE2 0.01 0.10 -0.12 -0.04 6.85 6.80 3hl7A1 ARG 9 H 0.19 0.16 0.18 -0.55 8.46 8.43 3hl7A1 ARG 9 HA 0.04 0.35 0.84 -0.75 4.34 4.81 3hl7A1 ARG 9 HB2 0.09 -0.04 -0.04 -0.04 1.90 1.87 3hl7A1 ARG 9 HB3 0.10 -0.01 0.05 -0.04 1.80 1.89 3hl7A1 ARG 9 HG2 0.09 -0.02 -0.13 -0.04 1.67 1.57 3hl7A1 ARG 9 HG3 0.09 0.02 -0.11 -0.04 1.67 1.63 3hl7A1 ARG 9 HD2 0.06 -0.00 -0.08 -0.04 3.22 3.16 3hl7A1 ARG 9 HD3 0.07 -0.01 -0.06 -0.04 3.22 3.17 3hl7A1 GLN 10 H 0.13 0.58 0.38 -0.55 8.47 9.01 3hl7A1 GLN 10 HA 0.11 0.04 0.42 -0.75 4.36 4.18 3hl7A1 GLN 10 HB2 0.10 -0.01 0.12 -0.04 2.15 2.32 3hl7A1 GLN 10 HB3 0.15 0.09 -0.14 -0.04 2.02 2.08 3hl7A1 GLN 10 HG2 0.08 0.03 -0.07 -0.04 2.40 2.39 3hl7A1 GLN 10 HG3 0.06 0.00 -0.46 -0.04 2.39 1.95 3hl7A1 GLN 10 HE21 0.12 -0.09 -0.07 -0.04 6.97 6.88 3hl7A1 GLN 10 HE22 -0.02 0.04 -0.14 -0.04 7.69 7.53 3hl7A1 GLU 11 H 0.09 0.17 0.14 -0.55 8.60 8.45 3hl7A1 GLU 11 HA 0.19 0.26 0.85 -0.75 4.29 4.84 3hl7A1 GLU 11 HB2 0.09 -0.02 -0.02 -0.04 2.09 2.09 3hl7A1 GLU 11 HB3 0.07 -0.02 0.04 -0.04 1.99 2.04 3hl7A1 GLU 11 HG2 0.12 0.11 -0.44 -0.04 2.34 2.09 3hl7A1 GLU 11 HG3 0.08 0.06 -0.25 -0.04 2.34 2.19 3hl7A1 LEU 12 H 0.27 0.94 0.11 -0.55 8.37 9.14 3hl7A1 LEU 12 HA 0.02 0.07 0.67 -0.75 4.35 4.36 3hl7A1 LEU 12 HB2 -0.22 0.03 -0.00 -0.04 1.64 1.41 3hl7A1 LEU 12 HB3 -0.14 -0.01 -0.05 -0.04 1.64 1.40 3hl7A1 LEU 12 HG -0.10 -0.04 -0.57 -0.04 1.64 0.90 3hl7A1 LEU 12 HD13 -0.61 -0.00 -0.22 -0.04 0.93 0.06 3hl7A1 LEU 12 HD23 -0.08 0.02 0.02 -0.04 0.89 0.82 3hl7A1 ASN 13 H 0.05 0.16 0.05 -0.55 8.53 8.23 3hl7A1 ASN 13 HA 0.05 0.03 0.34 -0.75 4.76 4.43 3hl7A1 ASN 13 HB2 0.11 0.16 0.07 -0.04 2.88 3.19 3hl7A1 ASN 13 HB3 0.07 0.01 0.20 -0.04 2.79 3.02 3hl7A1 ASN 13 HD21 0.02 0.04 -0.02 -0.04 7.03 7.03 3hl7A1 ASN 13 HD22 0.05 -0.00 -0.00 -0.04 7.74 7.74 3hl7A1 LYS 14 H 0.06 0.09 -0.12 -0.55 8.42 7.89 3hl7A1 LYS 14 HA 0.05 -0.01 0.27 -0.75 4.32 3.88 3hl7A1 LYS 14 HB2 0.03 -0.03 0.01 -0.04 1.87 1.84 3hl7A1 LYS 14 HB3 0.04 0.00 -0.48 -0.04 1.79 1.31 3hl7A1 LYS 14 HG2 0.03 -0.02 -0.04 -0.04 1.46 1.38 3hl7A1 LYS 14 HG3 0.04 0.10 -0.27 -0.04 1.46 1.29 3hl7A1 LYS 14 HD2 0.03 -0.03 0.02 -0.04 1.69 1.67 3hl7A1 LYS 14 HD3 0.02 -0.02 -0.02 -0.04 1.68 1.62 3hl7A1 LYS 14 HE2 0.00 0.01 -0.05 -0.04 2.99 2.91 3hl7A1 LYS 14 HE3 0.00 -0.02 -0.10 -0.04 2.99 2.83 3hl7A1 THR 15 H 0.15 0.53 -1.02 -0.55 8.28 7.39 3hl7A1 THR 15 HA 0.04 0.01 0.51 -0.75 4.39 4.20 3hl7A1 THR 15 HB 0.47 0.08 0.05 -0.04 4.32 4.88 3hl7A1 THR 15 HG23 -0.20 0.03 -0.01 -0.04 1.22 1.00 3hl7A1 ILE 16 H 0.03 0.11 0.19 -0.55 8.25 8.02 3hl7A1 ILE 16 HA 0.22 0.18 0.88 -0.75 4.18 4.70 3hl7A1 ILE 16 HB 0.03 -0.02 0.12 -0.04 1.89 1.98 3hl7A1 ILE 16 HG12 0.09 -0.01 -0.10 -0.04 1.49 1.43 3hl7A1 ILE 16 HG13 0.06 -0.02 -0.06 -0.04 1.21 1.16 3hl7A1 ILE 16 HG23 0.08 -0.02 -0.30 -0.04 0.93 0.65 3hl7A1 ILE 16 HD13 0.11 0.07 -0.18 -0.04 0.88 0.84 3hl7A1 TRP 17 H 0.37 0.75 0.32 -0.55 7.97 8.86 3hl7A1 TRP 17 HA 0.27 0.12 0.78 -0.75 4.62 5.03 3hl7A1 TRP 17 HB2 0.04 0.02 0.06 -0.04 3.23 3.31 3hl7A1 TRP 17 HB3 0.09 0.00 -0.11 -0.04 3.23 3.17 3hl7A1 TRP 17 HD1 0.05 0.09 -0.46 -0.04 7.22 6.87 3hl7A1 TRP 17 HE1 0.03 0.07 -0.12 -0.04 10.20 10.13 3hl7A1 TRP 17 HE3 0.25 -0.00 -0.17 -0.04 7.59 7.63 3hl7A1 TRP 17 HZ2 0.01 -0.07 -0.26 -0.04 7.44 7.07 3hl7A1 TRP 17 HZ3 0.15 -0.00 -0.23 -0.04 7.13 7.00 3hl7A1 TRP 17 HH2 0.01 0.17 -0.03 -0.04 7.19 7.30 3hl7A1 GLU 18 H 0.27 0.23 0.01 -0.55 8.60 8.57 3hl7A1 GLU 18 HA 0.05 0.31 0.86 -0.75 4.29 4.76 3hl7A1 GLU 18 HB2 0.13 -0.02 0.13 -0.04 2.09 2.28 3hl7A1 GLU 18 HB3 0.13 0.02 -0.07 -0.04 1.99 2.02 3hl7A1 GLU 18 HG2 0.09 0.00 -0.14 -0.04 2.34 2.25 3hl7A1 GLU 18 HG3 0.12 -0.08 -0.29 -0.04 2.34 2.05 3hl7A1 VAL 19 H -0.22 0.55 0.17 -0.55 8.24 8.20 3hl7A1 VAL 19 HA -0.23 0.20 0.85 -0.75 4.13 4.19 3hl7A1 VAL 19 HB -0.15 0.02 -0.01 -0.04 2.12 1.95 3hl7A1 VAL 19 HG13 0.15 -0.02 -0.34 -0.04 0.97 0.72 3hl7A1 VAL 19 HG23 -0.21 0.06 -0.18 -0.04 0.95 0.58 3hl7A1 PRO 20 HA -0.73 0.22 0.46 -0.51 4.44 3.88 3hl7A1 PRO 20 HB2 -0.45 -0.11 -0.05 -0.04 2.28 1.62 3hl7A1 PRO 20 HB3 -0.58 0.05 -0.02 -0.04 2.02 1.43 3hl7A1 PRO 20 HG2 -0.82 0.06 -0.03 -0.04 2.03 1.20 3hl7A1 PRO 20 HG3 -1.47 0.12 -0.07 -0.04 2.03 0.56 3hl7A1 PRO 20 HD2 -1.09 0.08 0.09 -0.04 3.68 2.72 3hl7A1 PRO 20 HD3 -1.69 0.16 0.08 -0.04 3.65 2.16 3hl7A1 GLU 21 H -0.12 0.54 0.27 -0.55 8.60 8.74 3hl7A1 GLU 21 HA 0.21 0.13 0.22 -0.75 4.29 4.10 3hl7A1 GLU 21 HB2 -0.06 -0.05 0.11 -0.04 2.09 2.05 3hl7A1 GLU 21 HB3 -0.08 -0.02 0.00 -0.04 1.99 1.85 3hl7A1 GLU 21 HG2 -0.08 -0.02 -0.06 -0.04 2.34 2.15 3hl7A1 GLU 21 HG3 0.10 0.16 -0.15 -0.04 2.34 2.41 3hl7A1 ARG 22 H -0.22 0.03 -0.39 -0.55 8.46 7.32 3hl7A1 ARG 22 HA -0.16 0.06 0.40 -0.75 4.34 3.89 3hl7A1 ARG 22 HB2 -0.33 -0.14 0.07 -0.04 1.90 1.46 3hl7A1 ARG 22 HB3 -0.28 0.02 0.04 -0.04 1.80 1.54 3hl7A1 ARG 22 HG2 -0.61 0.03 -0.08 -0.04 1.67 0.97 3hl7A1 ARG 22 HG3 -1.45 0.10 -0.26 -0.04 1.67 0.02 3hl7A1 ARG 22 HD2 -1.15 -0.00 -0.14 -0.04 3.22 1.89 3hl7A1 ARG 22 HD3 -0.44 -0.16 -0.04 -0.04 3.22 2.54 3hl7A1 TYR 23 H -0.07 0.46 -0.38 -0.55 8.29 7.75 3hl7A1 TYR 23 HA 0.01 0.19 0.71 -0.75 4.56 4.72 3hl7A1 TYR 23 HB2 -0.01 0.07 0.00 -0.04 3.06 3.08 3hl7A1 TYR 23 HB3 0.05 -0.02 -0.17 -0.04 2.98 2.80 3hl7A1 TYR 23 HD2 -0.17 0.05 -0.19 -0.04 7.15 6.80 3hl7A1 TYR 23 HE2 -0.12 0.01 -0.16 -0.04 6.85 6.54 3hl7A1 GLN 24 H 0.20 0.65 0.32 -0.55 8.47 9.10 3hl7A1 GLN 24 HA 0.18 0.17 0.86 -0.75 4.36 4.81 3hl7A1 GLN 24 HB2 0.18 0.02 0.05 -0.04 2.15 2.37 3hl7A1 GLN 24 HB3 0.06 -0.06 0.03 -0.04 2.02 2.02 3hl7A1 GLN 24 HG2 0.04 0.14 -0.33 -0.04 2.40 2.21 3hl7A1 GLN 24 HG3 0.03 -0.05 -0.05 -0.04 2.39 2.27 3hl7A1 GLN 24 HE21 -0.49 -0.12 -0.01 -0.04 6.97 6.30 3hl7A1 GLN 24 HE22 -0.09 0.63 -0.02 -0.04 7.69 8.18 3hl7A1 ASN 25 H 0.08 0.14 0.13 -0.55 8.53 8.34 3hl7A1 ASN 25 HA 0.03 0.04 0.32 -0.75 4.76 4.40 3hl7A1 ASN 25 HB2 0.07 0.08 -0.10 -0.04 2.88 2.89 3hl7A1 ASN 25 HB3 0.02 0.03 0.09 -0.04 2.79 2.88 3hl7A1 ASN 25 HD21 -0.05 0.01 -0.08 -0.04 7.03 6.87 3hl7A1 ASN 25 HD22 0.01 0.02 -0.17 -0.04 7.74 7.56 3hl7A1 LEU 26 H 0.05 -0.01 -0.14 -0.55 8.37 7.73 3hl7A1 LEU 26 HA -0.06 0.37 0.53 -0.75 4.35 4.43 3hl7A1 LEU 26 HB2 -0.09 -0.07 -0.01 -0.04 1.64 1.44 3hl7A1 LEU 26 HB3 -0.36 -0.02 -0.17 -0.04 1.64 1.05 3hl7A1 LEU 26 HG -0.12 0.06 -0.21 -0.04 1.64 1.33 3hl7A1 LEU 26 HD13 0.10 -0.02 -0.32 -0.04 0.93 0.65 3hl7A1 LEU 26 HD23 -0.27 -0.01 -0.18 -0.04 0.89 0.39 3hl7A1 SER 27 H -0.13 0.53 0.28 -0.55 8.46 8.60 3hl7A1 SER 27 HA -0.10 0.12 0.78 -0.75 4.49 4.53 3hl7A1 SER 27 HB2 -0.03 0.06 -0.15 -0.04 3.95 3.79 3hl7A1 SER 27 HB3 -0.04 -0.04 0.11 -0.04 3.93 3.93 3hl7A1 PRO 28 HA -0.12 0.12 0.65 -0.51 4.44 4.59 3hl7A1 PRO 28 HB2 -0.03 0.02 0.06 -0.04 2.28 2.29 3hl7A1 PRO 28 HB3 -0.02 0.02 0.09 -0.04 2.02 2.07 3hl7A1 PRO 28 HG2 -0.05 -0.01 0.05 -0.04 2.03 1.98 3hl7A1 PRO 28 HG3 -0.12 0.03 -0.01 -0.04 2.03 1.89 3hl7A1 PRO 28 HD2 -0.07 0.11 0.20 -0.04 3.68 3.88 3hl7A1 PRO 28 HD3 -0.14 0.17 0.10 -0.04 3.65 3.73 3hl7A1 VAL 29 H -0.02 0.65 0.46 -0.55 8.24 8.78 3hl7A1 VAL 29 HA -0.01 0.22 0.91 -0.75 4.13 4.50 3hl7A1 VAL 29 HB 0.00 0.01 0.09 -0.04 2.12 2.18 3hl7A1 VAL 29 HG13 -0.01 0.01 -0.08 -0.04 0.97 0.84 3hl7A1 VAL 29 HG23 0.01 -0.00 -0.28 -0.04 0.95 0.63 3hl7A1 GLY 30 H 0.02 0.18 0.27 -0.55 8.43 8.36 3hl7A1 GLY 30 HA2 0.02 -0.01 0.30 -0.51 4.01 3.81 3hl7A1 GLY 30 HA3 0.01 0.24 0.87 -0.51 4.01 4.62 3hl7A1 SER 31 H 0.00 0.14 0.19 -0.55 8.46 8.24 3hl7A1 SER 31 HA 0.02 0.08 0.81 -0.75 4.49 4.64 3hl7A1 SER 31 HB2 -0.02 -0.03 0.11 -0.04 3.95 3.96 3hl7A1 SER 31 HB3 -0.03 0.13 0.13 -0.04 3.93 4.12 3hl7A1 GLY 32 H -0.03 0.70 0.24 -0.55 8.43 8.80 3hl7A1 GLY 32 HA2 -0.07 0.18 0.69 -0.51 4.01 4.31 3hl7A1 GLY 32 HA3 -0.06 0.02 0.15 -0.51 4.01 3.61 3hl7A1 ALA 33 H -0.18 0.14 0.04 -0.55 8.40 7.85 3hl7A1 ALA 33 HA -0.43 0.05 0.59 -0.75 4.34 3.79 3hl7A1 ALA 33 HB3 -0.56 0.02 0.08 -0.04 1.41 0.90 3hl7A1 TYR 34 H -0.26 0.17 0.21 -0.55 8.29 7.86 3hl7A1 TYR 34 HA -0.09 0.00 0.33 -0.75 4.56 4.05 3hl7A1 TYR 34 HB2 -0.13 0.16 0.01 -0.04 3.06 3.05 3hl7A1 TYR 34 HB3 -0.13 0.02 0.15 -0.04 2.98 2.98 3hl7A1 TYR 34 HD2 -0.13 0.05 -0.08 -0.04 7.15 6.95 3hl7A1 TYR 34 HE2 -0.12 0.02 -0.05 -0.04 6.85 6.66 3hl7A1 GLY 35 H -0.06 0.34 -0.32 -0.55 8.43 7.85 3hl7A1 GLY 35 HA2 -0.08 0.01 0.43 -0.51 4.01 3.86 3hl7A1 GLY 35 HA3 -0.10 0.20 0.36 -0.51 4.01 3.96 3hl7A1 SER 36 H -0.08 0.50 0.29 -0.55 8.46 8.63 3hl7A1 SER 36 HA 0.07 0.12 1.00 -0.75 4.49 4.92 3hl7A1 SER 36 HB2 0.13 0.01 0.12 -0.04 3.95 4.17 3hl7A1 SER 36 HB3 0.40 0.05 -0.04 -0.04 3.93 4.30 3hl7A1 VAL 37 H 0.14 0.65 0.36 -0.55 8.24 8.84 3hl7A1 VAL 37 HA 0.26 0.34 1.03 -0.75 4.13 5.00 3hl7A1 VAL 37 HB 0.05 -0.01 -0.10 -0.04 2.12 2.02 3hl7A1 VAL 37 HG13 0.05 0.01 -0.30 -0.04 0.97 0.68 3hl7A1 VAL 37 HG23 0.03 -0.02 -0.36 -0.04 0.95 0.56 3hl7A1 CYS 38 H 0.12 0.70 0.34 -0.55 8.50 9.12 3hl7A1 CYS 38 HA -0.15 0.12 0.89 -0.75 4.58 4.68 3hl7A1 CYS 38 HB2 -0.60 0.02 0.03 -0.04 2.97 2.39 3hl7A1 CYS 38 HB3 -0.37 0.08 -0.14 -0.04 2.97 2.50 3hl7A1 ALA 39 H -0.07 0.75 0.31 -0.55 8.40 8.84 3hl7A1 ALA 39 HA 0.01 0.21 0.94 -0.75 4.34 4.74 3hl7A1 ALA 39 HB3 0.01 -0.00 0.10 -0.04 1.41 1.47 3hl7A1 ALA 40 H 0.05 0.67 0.35 -0.55 8.40 8.92 3hl7A1 ALA 40 HA 0.08 0.31 0.44 -0.75 4.34 4.42 3hl7A1 ALA 40 HB3 0.09 -0.03 -0.26 -0.04 1.41 1.17 3hl7A1 PHE 41 H 0.24 0.74 0.22 -0.55 8.34 8.98 3hl7A1 PHE 41 HA 0.06 0.17 0.99 -0.75 4.62 5.09 3hl7A1 PHE 41 HB2 0.03 0.02 -0.01 -0.04 3.15 3.14 3hl7A1 PHE 41 HB3 0.03 -0.05 0.07 -0.04 3.06 3.06 3hl7A1 PHE 41 HD2 0.01 -0.05 -0.20 -0.04 7.28 7.00 3hl7A1 PHE 41 HE2 0.00 0.04 -0.14 -0.04 7.38 7.25 3hl7A1 PHE 41 HZ 0.00 0.01 -0.06 -0.04 7.32 7.24 3hl7A1 ASP 42 H -0.45 0.82 0.18 -0.55 8.40 8.40 3hl7A1 ASP 42 HA -0.17 0.17 0.70 -0.75 4.63 4.58 3hl7A1 ASP 42 HB2 0.09 0.05 -0.04 -0.04 2.71 2.77 3hl7A1 ASP 42 HB3 -0.21 -0.02 0.19 -0.04 2.70 2.62 3hl7A1 THR 43 H -0.17 0.88 0.32 -0.55 8.28 8.75 3hl7A1 THR 43 HA 0.02 0.07 0.35 -0.75 4.39 4.07 3hl7A1 THR 43 HB 0.06 -0.02 0.06 -0.04 4.32 4.38 3hl7A1 THR 43 HG23 0.18 0.05 0.02 -0.04 1.22 1.44 3hl7A1 LYS 44 H -0.21 0.04 -0.19 -0.55 8.42 7.50 3hl7A1 LYS 44 HA -0.08 0.14 0.55 -0.75 4.32 4.18 3hl7A1 LYS 44 HB2 -0.14 -0.03 0.05 -0.04 1.87 1.71 3hl7A1 LYS 44 HB3 -0.16 -0.06 0.04 -0.04 1.79 1.57 3hl7A1 LYS 44 HG2 -0.06 0.05 -0.26 -0.04 1.46 1.15 3hl7A1 LYS 44 HG3 -0.06 0.01 -0.00 -0.04 1.46 1.37 3hl7A1 LYS 44 HD2 -0.07 -0.04 -0.01 -0.04 1.69 1.53 3hl7A1 LYS 44 HD3 -0.08 -0.00 -0.03 -0.04 1.68 1.53 3hl7A1 LYS 44 HE2 -0.02 0.06 -0.04 -0.04 2.99 2.96 3hl7A1 LYS 44 HE3 -0.03 -0.00 -0.04 -0.04 2.99 2.88 3hl7A1 THR 45 H -0.16 0.01 -0.14 -0.55 8.28 7.45 3hl7A1 THR 45 HA -0.05 0.23 0.66 -0.75 4.39 4.48 3hl7A1 THR 45 HB -0.03 0.06 0.07 -0.04 4.32 4.37 3hl7A1 THR 45 HG23 -0.03 0.01 -0.08 -0.04 1.22 1.08 3hl7A1 GLY 46 H -0.25 0.31 -0.17 -0.55 8.43 7.77 3hl7A1 GLY 46 HA2 -0.25 0.02 0.26 -0.51 4.01 3.53 3hl7A1 GLY 46 HA3 -0.00 0.08 0.56 -0.51 4.01 4.14 3hl7A1 LEU 47 H -0.22 -0.03 -0.24 -0.55 8.37 7.33 3hl7A1 LEU 47 HA -0.01 0.13 0.52 -0.75 4.35 4.24 3hl7A1 LEU 47 HB2 -0.07 -0.10 -0.05 -0.04 1.64 1.37 3hl7A1 LEU 47 HB3 0.01 0.10 -0.07 -0.04 1.64 1.64 3hl7A1 LEU 47 HG -0.02 0.03 -0.15 -0.04 1.64 1.46 3hl7A1 LEU 47 HD13 -0.02 0.00 -0.07 -0.04 0.93 0.80 3hl7A1 LEU 47 HD23 0.09 0.02 -0.06 -0.04 0.89 0.90 3hl7A1 ARG 48 H 0.07 0.16 0.20 -0.55 8.46 8.33 3hl7A1 ARG 48 HA 0.09 0.20 1.03 -0.75 4.34 4.90 3hl7A1 ARG 48 HB2 0.10 -0.04 0.20 -0.04 1.90 2.12 3hl7A1 ARG 48 HB3 0.09 0.04 0.06 -0.04 1.80 1.96 3hl7A1 ARG 48 HG2 0.30 0.03 0.05 -0.04 1.67 2.01 3hl7A1 ARG 48 HG3 0.19 -0.00 0.05 -0.04 1.67 1.86 3hl7A1 ARG 48 HD2 0.10 0.02 -0.02 -0.04 3.22 3.28 3hl7A1 ARG 48 HD3 0.13 0.00 -0.03 -0.04 3.22 3.27 3hl7A1 VAL 49 H 0.06 0.71 0.31 -0.55 8.24 8.77 3hl7A1 VAL 49 HA 0.03 0.11 1.12 -0.75 4.13 4.63 3hl7A1 VAL 49 HB -0.01 0.13 -0.02 -0.04 2.12 2.18 3hl7A1 VAL 49 HG13 0.02 -0.00 -0.35 -0.04 0.97 0.61 3hl7A1 VAL 49 HG23 0.05 -0.01 -0.33 -0.04 0.95 0.62 3hl7A1 ALA 50 H 0.01 0.72 0.15 -0.55 8.40 8.73 3hl7A1 ALA 50 HA 0.02 0.29 0.95 -0.75 4.34 4.84 3hl7A1 ALA 50 HB3 0.03 -0.02 -0.06 -0.04 1.41 1.31 3hl7A1 VAL 51 H 0.05 0.78 0.25 -0.55 8.24 8.77 3hl7A1 VAL 51 HA 0.02 0.31 1.02 -0.75 4.13 4.73 3hl7A1 VAL 51 HB 0.27 -0.07 0.05 -0.04 2.12 2.33 3hl7A1 VAL 51 HG13 0.32 -0.00 -0.28 -0.04 0.97 0.97 3hl7A1 VAL 51 HG23 -0.10 0.00 -0.28 -0.04 0.95 0.53 3hl7A1 LYS 52 H 0.01 0.75 0.29 -0.55 8.42 8.92 3hl7A1 LYS 52 HA 0.14 0.31 1.02 -0.75 4.32 5.04 3hl7A1 LYS 52 HB2 -0.01 -0.04 -0.09 -0.04 1.87 1.69 3hl7A1 LYS 52 HB3 -0.06 -0.02 0.08 -0.04 1.79 1.75 3hl7A1 LYS 52 HG2 -0.11 -0.03 -0.48 -0.04 1.46 0.79 3hl7A1 LYS 52 HG3 -0.04 0.08 -0.29 -0.04 1.46 1.16 3hl7A1 LYS 52 HD2 -0.08 0.03 -0.37 -0.04 1.69 1.23 3hl7A1 LYS 52 HD3 -0.06 -0.07 -0.21 -0.04 1.68 1.30 3hl7A1 LYS 52 HE2 -0.08 -0.02 -0.11 -0.04 2.99 2.74 3hl7A1 LYS 52 HE3 -0.09 -0.00 -0.15 -0.04 2.99 2.70 3hl7A1 LYS 53 H -0.17 0.60 0.28 -0.55 8.42 8.58 3hl7A1 LYS 53 HA -0.77 0.22 1.04 -0.75 4.32 4.05 3hl7A1 LYS 53 HB2 -1.65 -0.03 0.06 -0.04 1.87 0.21 3hl7A1 LYS 53 HB3 -1.05 -0.09 0.18 -0.04 1.79 0.79 3hl7A1 LYS 53 HG2 -0.79 0.22 -0.07 -0.04 1.46 0.78 3hl7A1 LYS 53 HG3 -1.78 -0.04 0.06 -0.04 1.46 -0.34 3hl7A1 LYS 53 HD2 -1.22 0.04 0.08 -0.04 1.69 0.55 3hl7A1 LYS 53 HD3 -0.76 -0.09 0.01 -0.04 1.68 0.79 3hl7A1 LYS 53 HE2 -0.43 0.01 0.08 -0.04 2.99 2.60 3hl7A1 LYS 53 HE3 -0.33 -0.09 0.05 -0.04 2.99 2.58 3hl7A1 LEU 54 H -0.41 0.50 0.27 -0.55 8.37 8.18 3hl7A1 LEU 54 HA -0.18 0.18 0.63 -0.75 4.35 4.23 3hl7A1 LEU 54 HB2 -0.31 -0.12 0.18 -0.04 1.64 1.35 3hl7A1 LEU 54 HB3 -0.22 0.05 0.02 -0.04 1.64 1.44 3hl7A1 LEU 54 HG -0.21 0.04 -0.00 -0.04 1.64 1.43 3hl7A1 LEU 54 HD13 -0.17 -0.01 -0.01 -0.04 0.93 0.70 3hl7A1 LEU 54 HD23 -0.10 -0.00 -0.12 -0.04 0.89 0.63 3hl7A1 SER 55 H -0.12 0.65 0.38 -0.55 8.46 8.82 3hl7A1 SER 55 HA -0.20 0.11 0.98 -0.75 4.49 4.63 3hl7A1 SER 55 HB2 -0.08 -0.04 -0.01 -0.04 3.95 3.78 3hl7A1 SER 55 HB3 -0.12 0.00 0.06 -0.04 3.93 3.84 3hl7A1 ARG 56 H -0.18 0.18 0.15 -0.55 8.46 8.06 3hl7A1 ARG 56 HA -0.17 0.05 0.36 -0.75 4.34 3.82 3hl7A1 ARG 56 HB2 -0.14 0.12 -0.03 -0.04 1.90 1.80 3hl7A1 ARG 56 HB3 -0.21 -0.07 0.13 -0.04 1.80 1.61 3hl7A1 ARG 56 HG2 -0.12 0.05 0.07 -0.04 1.67 1.63 3hl7A1 ARG 56 HG3 -0.10 -0.04 -0.18 -0.04 1.67 1.32 3hl7A1 ARG 56 HD2 -0.10 -0.01 -0.02 -0.04 3.22 3.05 3hl7A1 ARG 56 HD3 -0.10 0.00 0.01 -0.04 3.22 3.09 3hl7A1 PRO 57 HA -0.36 0.14 0.23 -0.51 4.44 3.95 3hl7A1 PRO 57 HB2 -1.65 0.03 -0.16 -0.04 2.28 0.45 3hl7A1 PRO 57 HB3 -0.56 0.04 -0.01 -0.04 2.02 1.45 3hl7A1 PRO 57 HG2 -0.66 0.07 -0.13 -0.04 2.03 1.27 3hl7A1 PRO 57 HG3 -0.45 -0.08 -0.02 -0.04 2.03 1.43 3hl7A1 PRO 57 HD2 -0.26 0.13 0.19 -0.04 3.68 3.71 3hl7A1 PRO 57 HD3 -0.31 0.22 -0.20 -0.04 3.65 3.32 3hl7A1 PHE 58 H -0.27 0.13 -0.39 -0.55 8.34 7.26 3hl7A1 PHE 58 HA -0.06 0.14 0.75 -0.75 4.62 4.69 3hl7A1 PHE 58 HB2 -0.14 0.05 0.05 -0.04 3.15 3.07 3hl7A1 PHE 58 HB3 -0.07 -0.05 0.09 -0.04 3.06 3.00 3hl7A1 PHE 58 HD2 -0.17 -0.00 -0.10 -0.04 7.28 6.97 3hl7A1 PHE 58 HE2 -0.56 0.00 -0.25 -0.04 7.38 6.53 3hl7A1 PHE 58 HZ -0.06 0.03 -0.17 -0.04 7.32 7.08 3hl7A1 GLN 59 H -0.24 0.41 -0.22 -0.55 8.47 7.87 3hl7A1 GLN 59 HA -0.15 0.07 0.29 -0.75 4.36 3.81 3hl7A1 GLN 59 HB2 -0.45 0.06 0.13 -0.04 2.15 1.85 3hl7A1 GLN 59 HB3 -1.30 -0.03 0.10 -0.04 2.02 0.75 3hl7A1 GLN 59 HG2 -0.40 -0.06 -0.14 -0.04 2.40 1.77 3hl7A1 GLN 59 HG3 -0.22 -0.00 0.08 -0.04 2.39 2.21 3hl7A1 GLN 59 HE21 -0.11 0.01 0.01 -0.04 6.97 6.84 3hl7A1 GLN 59 HE22 -0.14 -0.01 0.03 -0.04 7.69 7.54 3hl7A1 SER 60 H -0.07 0.17 -0.02 -0.55 8.46 8.00 3hl7A1 SER 60 HA 0.01 0.21 0.62 -0.75 4.49 4.58 3hl7A1 SER 60 HB2 0.05 -0.03 0.19 -0.04 3.95 4.11 3hl7A1 SER 60 HB3 -0.01 0.19 -0.11 -0.04 3.93 3.96 3hl7A1 ILE 61 H 0.07 0.22 0.17 -0.55 8.25 8.16 3hl7A1 ILE 61 HA 0.17 0.07 0.54 -0.75 4.18 4.20 3hl7A1 ILE 61 HB 0.08 -0.01 0.17 -0.04 1.89 2.08 3hl7A1 ILE 61 HG12 0.10 -0.07 0.14 -0.04 1.49 1.62 3hl7A1 ILE 61 HG13 0.13 0.10 0.09 -0.04 1.21 1.49 3hl7A1 ILE 61 HG23 0.20 0.04 -0.11 -0.04 0.93 1.02 3hl7A1 ILE 61 HD13 0.29 -0.03 0.02 -0.04 0.88 1.13 3hl7A1 ILE 62 H 0.03 0.08 -0.08 -0.55 8.25 7.73 3hl7A1 ILE 62 HA -0.12 0.16 0.43 -0.75 4.18 3.90 3hl7A1 ILE 62 HB -0.02 -0.07 0.07 -0.04 1.89 1.83 3hl7A1 ILE 62 HG12 -0.00 -0.11 0.07 -0.04 1.49 1.41 3hl7A1 ILE 62 HG13 -0.03 0.05 0.04 -0.04 1.21 1.22 3hl7A1 ILE 62 HG23 -0.20 0.04 -0.11 -0.04 0.93 0.62 3hl7A1 ILE 62 HD13 -0.05 0.03 0.02 -0.04 0.88 0.84 3hl7A1 HIS 63 H 0.19 -0.02 -0.20 -0.55 8.41 7.82 3hl7A1 HIS 63 HA -0.27 0.11 0.51 -0.75 4.63 4.22 3hl7A1 HIS 63 HB2 -0.11 -0.28 0.09 -0.04 3.26 2.92 3hl7A1 HIS 63 HB3 -0.22 0.28 -0.04 -0.04 3.20 3.18 3hl7A1 HIS 63 HD2 -0.18 0.27 0.08 -0.04 6.97 7.10 3hl7A1 HIS 63 HE1 -0.07 -0.00 -0.02 -0.04 7.75 7.61 3hl7A1 ALA 64 H 0.05 0.46 -0.06 -0.55 8.40 8.30 3hl7A1 ALA 64 HA 0.17 0.18 0.45 -0.75 4.34 4.39 3hl7A1 ALA 64 HB3 0.28 -0.02 0.11 -0.04 1.41 1.74 3hl7A1 LYS 65 H -0.39 0.57 -0.12 -0.55 8.42 7.94 3hl7A1 LYS 65 HA -1.13 -0.01 0.44 -0.75 4.32 2.86 3hl7A1 LYS 65 HB2 -1.45 -0.03 0.13 -0.04 1.87 0.48 3hl7A1 LYS 65 HB3 -0.51 0.07 0.15 -0.04 1.79 1.45 3hl7A1 LYS 65 HG2 -0.38 0.01 -0.10 -0.04 1.46 0.95 3hl7A1 LYS 65 HG3 -1.53 -0.06 0.05 -0.04 1.46 -0.12 3hl7A1 LYS 65 HD2 -0.22 -0.04 0.05 -0.04 1.69 1.43 3hl7A1 LYS 65 HD3 -0.20 -0.04 0.02 -0.04 1.68 1.42 3hl7A1 LYS 65 HE2 -0.04 -0.06 0.02 -0.04 2.99 2.87 3hl7A1 LYS 65 HE3 0.16 0.03 -0.00 -0.04 2.99 3.14 3hl7A1 ARG 66 H -0.28 0.40 -0.22 -0.55 8.46 7.81 3hl7A1 ARG 66 HA -0.15 0.03 0.47 -0.75 4.34 3.93 3hl7A1 ARG 66 HB2 -0.33 0.07 0.19 -0.04 1.90 1.78 3hl7A1 ARG 66 HB3 -0.36 0.11 0.26 -0.04 1.80 1.77 3hl7A1 ARG 66 HG2 -0.53 -0.01 -0.18 -0.04 1.67 0.91 3hl7A1 ARG 66 HG3 -0.39 0.00 0.03 -0.04 1.67 1.28 3hl7A1 ARG 66 HD2 -1.67 -0.05 -0.03 -0.04 3.22 1.42 3hl7A1 ARG 66 HD3 -0.69 0.01 -0.03 -0.04 3.22 2.47 3hl7A1 THR 67 H -0.17 0.67 -0.08 -0.55 8.28 8.16 3hl7A1 THR 67 HA -0.12 0.01 0.54 -0.75 4.39 4.06 3hl7A1 THR 67 HB -0.08 0.14 0.18 -0.04 4.32 4.52 3hl7A1 THR 67 HG23 -0.16 -0.04 -0.16 -0.04 1.22 0.83 3hl7A1 TYR 68 H 0.10 0.54 -0.09 -0.55 8.29 8.29 3hl7A1 TYR 68 HA 0.03 -0.00 0.42 -0.75 4.56 4.25 3hl7A1 TYR 68 HB2 0.16 0.05 0.12 -0.04 3.06 3.35 3hl7A1 TYR 68 HB3 -0.19 0.11 0.18 -0.04 2.98 3.04 3hl7A1 TYR 68 HD2 -0.27 0.02 -0.14 -0.04 7.15 6.72 3hl7A1 TYR 68 HE2 -0.39 0.02 -0.14 -0.04 6.85 6.31 3hl7A1 ARG 69 H -0.05 0.70 -0.06 -0.55 8.46 8.50 3hl7A1 ARG 69 HA -0.07 -0.03 0.40 -0.75 4.34 3.89 3hl7A1 ARG 69 HB2 0.21 0.01 0.11 -0.04 1.90 2.19 3hl7A1 ARG 69 HB3 0.01 0.09 0.18 -0.04 1.80 2.03 3hl7A1 ARG 69 HG2 0.09 -0.02 -0.34 -0.04 1.67 1.35 3hl7A1 ARG 69 HG3 0.32 -0.06 0.00 -0.04 1.67 1.89 3hl7A1 ARG 69 HD2 0.02 -0.04 0.05 -0.04 3.22 3.21 3hl7A1 ARG 69 HD3 0.06 0.32 0.08 -0.04 3.22 3.63 3hl7A1 GLU 70 H -0.05 0.56 -0.18 -0.55 8.60 8.38 3hl7A1 GLU 70 HA -0.06 0.03 0.42 -0.75 4.29 3.92 3hl7A1 GLU 70 HB2 -0.02 0.01 0.09 -0.04 2.09 2.13 3hl7A1 GLU 70 HB3 -0.05 0.08 0.13 -0.04 1.99 2.11 3hl7A1 GLU 70 HG2 -0.09 0.00 -0.24 -0.04 2.34 1.98 3hl7A1 GLU 70 HG3 -0.13 -0.05 0.02 -0.04 2.34 2.13 3hl7A1 LEU 71 H -0.08 0.57 -0.13 -0.55 8.37 8.18 3hl7A1 LEU 71 HA -0.05 -0.00 0.42 -0.75 4.35 3.96 3hl7A1 LEU 71 HB2 -0.01 -0.02 0.07 -0.04 1.64 1.64 3hl7A1 LEU 71 HB3 -0.06 0.08 0.15 -0.04 1.64 1.77 3hl7A1 LEU 71 HG -0.01 0.02 -0.23 -0.04 1.64 1.38 3hl7A1 LEU 71 HD13 -0.05 -0.01 -0.03 -0.04 0.93 0.80 3hl7A1 LEU 71 HD23 0.08 -0.02 -0.11 -0.04 0.89 0.80 3hl7A1 ARG 72 H -0.25 0.70 -0.05 -0.55 8.46 8.31 3hl7A1 ARG 72 HA -0.02 0.02 0.38 -0.75 4.34 3.95 3hl7A1 ARG 72 HB2 -0.22 0.10 0.11 -0.04 1.90 1.85 3hl7A1 ARG 72 HB3 0.07 -0.04 -0.03 -0.04 1.80 1.76 3hl7A1 ARG 72 HG2 -1.05 0.10 0.03 -0.04 1.67 0.71 3hl7A1 ARG 72 HG3 -1.39 -0.10 -0.07 -0.04 1.67 0.07 3hl7A1 ARG 72 HD2 -0.15 0.02 -0.02 -0.04 3.22 3.03 3hl7A1 ARG 72 HD3 -0.23 -0.07 -0.03 -0.04 3.22 2.85 3hl7A1 LEU 73 H 0.02 0.53 -0.25 -0.55 8.37 8.13 3hl7A1 LEU 73 HA -0.10 0.01 0.43 -0.75 4.35 3.93 3hl7A1 LEU 73 HB2 -0.03 0.08 0.16 -0.04 1.64 1.82 3hl7A1 LEU 73 HB3 0.11 -0.07 -0.05 -0.04 1.64 1.59 3hl7A1 LEU 73 HG 0.15 0.08 0.02 -0.04 1.64 1.85 3hl7A1 LEU 73 HD13 0.00 0.03 -0.15 -0.04 0.93 0.78 3hl7A1 LEU 73 HD23 -0.10 -0.03 -0.07 -0.04 0.89 0.64 3hl7A1 LEU 74 H 0.01 0.66 -0.02 -0.55 8.37 8.47 3hl7A1 LEU 74 HA 0.15 0.06 0.42 -0.75 4.35 4.23 3hl7A1 LEU 74 HB2 -0.01 0.10 0.15 -0.04 1.64 1.84 3hl7A1 LEU 74 HB3 0.03 -0.07 -0.04 -0.04 1.64 1.51 3hl7A1 LEU 74 HG -0.09 0.05 0.05 -0.04 1.64 1.60 3hl7A1 LEU 74 HD13 -0.08 -0.03 -0.11 -0.04 0.93 0.67 3hl7A1 LEU 74 HD23 -0.02 -0.01 -0.11 -0.04 0.89 0.70 3hl7A1 LYS 75 H 0.09 0.56 -0.18 -0.55 8.42 8.34 3hl7A1 LYS 75 HA 0.21 0.03 0.45 -0.75 4.32 4.25 3hl7A1 LYS 75 HB2 0.14 0.07 0.08 -0.04 1.87 2.12 3hl7A1 LYS 75 HB3 0.19 -0.04 -0.00 -0.04 1.79 1.89 3hl7A1 LYS 75 HG2 0.32 -0.03 -0.00 -0.04 1.46 1.70 3hl7A1 LYS 75 HG3 0.08 0.06 0.01 -0.04 1.46 1.57 3hl7A1 LYS 75 HD2 0.15 0.03 -0.09 -0.04 1.69 1.74 3hl7A1 LYS 75 HD3 0.10 -0.08 -0.12 -0.04 1.68 1.54 3hl7A1 LYS 75 HE2 0.16 -0.02 -0.04 -0.04 2.99 3.04 3hl7A1 LYS 75 HE3 0.33 -0.04 -0.02 -0.04 2.99 3.22 3hl7A1 HIS 76 H 0.21 0.27 -0.46 -0.55 8.41 7.88 3hl7A1 HIS 76 HA 0.11 0.06 0.56 -0.75 4.63 4.61 3hl7A1 HIS 76 HB2 0.12 0.08 0.10 -0.04 3.26 3.53 3hl7A1 HIS 76 HB3 -0.10 0.08 0.09 -0.04 3.20 3.23 3hl7A1 HIS 76 HD2 0.22 -0.04 0.01 -0.04 6.97 7.12 3hl7A1 HIS 76 HE1 -0.08 0.11 -0.08 -0.04 7.75 7.65 3hl7A1 MET 77 H 0.18 0.33 -0.10 -0.55 8.47 8.33 3hl7A1 MET 77 HA 0.26 -0.04 0.32 -0.75 4.52 4.30 3hl7A1 MET 77 HB2 0.20 0.14 0.22 -0.04 2.15 2.67 3hl7A1 MET 77 HB3 0.07 -0.11 -0.08 -0.04 2.03 1.86 3hl7A1 MET 77 HG2 0.22 0.34 0.09 -0.04 2.63 3.23 3hl7A1 MET 77 HG3 0.15 -0.08 -0.03 -0.04 2.56 2.55 3hl7A1 MET 77 HE3 0.17 -0.02 -0.21 -0.04 2.10 2.00 3hl7A1 LYS 78 H 0.17 0.18 0.12 -0.55 8.42 8.34 3hl7A1 LYS 78 HA -0.00 0.13 0.74 -0.75 4.32 4.44 3hl7A1 LYS 78 HB2 0.02 -0.05 0.21 -0.04 1.87 2.01 3hl7A1 LYS 78 HB3 -0.00 -0.05 0.08 -0.04 1.79 1.78 3hl7A1 LYS 78 HG2 0.05 0.12 -0.25 -0.04 1.46 1.33 3hl7A1 LYS 78 HG3 0.02 0.16 -0.47 -0.04 1.46 1.12 3hl7A1 LYS 78 HD2 -0.00 -0.08 0.01 -0.04 1.69 1.58 3hl7A1 LYS 78 HD3 0.01 -0.06 -0.00 -0.04 1.68 1.58 3hl7A1 LYS 78 HE2 0.05 0.15 -0.05 -0.04 2.99 3.09 3hl7A1 LYS 78 HE3 -0.00 0.00 0.02 -0.04 2.99 2.97 3hl7A1 HIS 79 H -0.09 0.44 -0.01 -0.55 8.41 8.20 3hl7A1 HIS 79 HA -0.33 0.13 0.74 -0.75 4.63 4.41 3hl7A1 HIS 79 HB2 -1.71 0.12 -0.31 -0.04 3.26 1.33 3hl7A1 HIS 79 HB3 -0.63 -0.03 -0.09 -0.04 3.20 2.41 3hl7A1 HIS 79 HD2 -0.46 0.10 -0.05 -0.04 6.97 6.51 3hl7A1 HIS 79 HE1 -0.16 -0.01 -0.23 -0.04 7.75 7.30 3hl7A1 GLU 80 H -0.64 0.19 0.13 -0.55 8.60 7.74 3hl7A1 GLU 80 HA -0.14 0.09 0.34 -0.75 4.29 3.83 3hl7A1 GLU 80 HB2 -0.31 -0.00 0.12 -0.04 2.09 1.85 3hl7A1 GLU 80 HB3 -0.13 0.02 0.03 -0.04 1.99 1.87 3hl7A1 GLU 80 HG2 -0.13 0.02 0.05 -0.04 2.34 2.23 3hl7A1 GLU 80 HG3 -0.23 -0.01 0.08 -0.04 2.34 2.14 3hl7A1 ASN 81 H 0.37 0.03 -0.33 -0.55 8.53 8.06 3hl7A1 ASN 81 HA -0.03 0.43 0.95 -0.75 4.76 5.37 3hl7A1 ASN 81 HB2 0.07 -0.08 0.07 -0.04 2.88 2.90 3hl7A1 ASN 81 HB3 -0.07 0.02 0.21 -0.04 2.79 2.90 3hl7A1 ASN 81 HD21 -0.09 -0.07 -0.00 -0.04 7.03 6.83 3hl7A1 ASN 81 HD22 -0.09 0.50 0.13 -0.04 7.74 8.24 3hl7A1 VAL 82 H 0.02 0.57 -0.22 -0.55 8.24 8.06 3hl7A1 VAL 82 HA -0.01 0.03 0.90 -0.75 4.13 4.31 3hl7A1 VAL 82 HB -0.12 0.02 -0.05 -0.04 2.12 1.93 3hl7A1 VAL 82 HG13 -0.40 0.06 -0.02 -0.04 0.97 0.56 3hl7A1 VAL 82 HG23 -0.26 -0.04 -0.19 -0.04 0.95 0.42 3hl7A1 ILE 83 H 0.21 0.47 0.19 -0.55 8.25 8.57 3hl7A1 ILE 83 HA 0.12 -0.01 0.52 -0.75 4.18 4.05 3hl7A1 ILE 83 HB 0.21 -0.04 0.21 -0.04 1.89 2.23 3hl7A1 ILE 83 HG12 0.10 -0.05 -0.20 -0.04 1.49 1.30 3hl7A1 ILE 83 HG13 0.08 -0.09 -0.13 -0.04 1.21 1.02 3hl7A1 ILE 83 HG23 0.07 -0.01 -0.12 -0.04 0.93 0.83 3hl7A1 ILE 83 HD13 0.07 -0.00 -0.05 -0.04 0.88 0.85 3hl7A1 GLY 84 H 0.14 0.06 0.27 -0.55 8.43 8.35 3hl7A1 GLY 84 HA2 0.14 0.27 0.92 -0.51 4.01 4.84 3hl7A1 GLY 84 HA3 0.12 0.14 0.41 -0.51 4.01 4.16 3hl7A1 LEU 85 H 0.13 0.41 0.18 -0.55 8.37 8.54 3hl7A1 LEU 85 HA 0.02 0.14 0.68 -0.75 4.35 4.44 3hl7A1 LEU 85 HB2 0.14 0.19 -0.03 -0.04 1.64 1.90 3hl7A1 LEU 85 HB3 0.10 0.01 -0.10 -0.04 1.64 1.61 3hl7A1 LEU 85 HG -0.03 -0.08 -0.15 -0.04 1.64 1.35 3hl7A1 LEU 85 HD13 -0.35 -0.01 -0.15 -0.04 0.93 0.37 3hl7A1 LEU 85 HD23 -0.14 0.05 0.08 -0.04 0.89 0.84 3hl7A1 LEU 86 H 0.00 0.59 0.44 -0.55 8.37 8.86 3hl7A1 LEU 86 HA 0.12 0.16 0.80 -0.75 4.35 4.68 3hl7A1 LEU 86 HB2 -0.04 -0.01 -0.14 -0.04 1.64 1.41 3hl7A1 LEU 86 HB3 0.02 -0.05 -0.10 -0.04 1.64 1.47 3hl7A1 LEU 86 HG -0.31 -0.01 -0.06 -0.04 1.64 1.21 3hl7A1 LEU 86 HD13 -0.43 -0.03 -0.26 -0.04 0.93 0.17 3hl7A1 LEU 86 HD23 -0.12 0.02 -0.02 -0.04 0.89 0.74 3hl7A1 ASP 87 H -0.04 0.35 0.23 -0.55 8.40 8.39 3hl7A1 ASP 87 HA 0.04 0.18 0.48 -0.75 4.63 4.57 3hl7A1 ASP 87 HB2 0.24 0.07 -0.34 -0.04 2.71 2.64 3hl7A1 ASP 87 HB3 0.20 -0.11 -0.13 -0.04 2.70 2.63 3hl7A1 VAL 88 H -0.26 0.38 0.17 -0.55 8.24 7.98 3hl7A1 VAL 88 HA -0.23 0.23 0.63 -0.75 4.13 4.01 3hl7A1 VAL 88 HB -0.35 0.01 0.14 -0.04 2.12 1.88 3hl7A1 VAL 88 HG13 -0.55 0.02 0.01 -0.04 0.97 0.40 3hl7A1 VAL 88 HG23 -0.09 0.01 -0.04 -0.04 0.95 0.79 3hl7A1 PHE 89 H -0.34 0.53 0.34 -0.55 8.34 8.32 3hl7A1 PHE 89 HA 0.12 0.20 0.78 -0.75 4.62 4.97 3hl7A1 PHE 89 HB2 0.27 0.03 0.05 -0.04 3.15 3.45 3hl7A1 PHE 89 HB3 0.12 0.07 -0.20 -0.04 3.06 3.01 3hl7A1 PHE 89 HD2 0.16 -0.00 -0.36 -0.04 7.28 7.04 3hl7A1 PHE 89 HE2 -0.59 0.07 -0.12 -0.04 7.38 6.70 3hl7A1 PHE 89 HZ -0.19 -0.02 -0.14 -0.04 7.32 6.93 3hl7A1 THR 90 H 0.43 0.37 0.21 -0.55 8.28 8.73 3hl7A1 THR 90 HA 0.45 0.15 0.67 -0.75 4.39 4.90 3hl7A1 THR 90 HB 0.49 0.12 0.10 -0.04 4.32 4.99 3hl7A1 THR 90 HG23 0.21 0.03 -0.01 -0.04 1.22 1.40 3hl7A1 PRO 91 HA -1.41 0.15 0.55 -0.51 4.44 3.22 3hl7A1 PRO 91 HB2 -0.25 -0.01 -0.04 -0.04 2.28 1.94 3hl7A1 PRO 91 HB3 -0.50 0.03 0.01 -0.04 2.02 1.52 3hl7A1 PRO 91 HG2 0.04 -0.02 0.05 -0.04 2.03 2.06 3hl7A1 PRO 91 HG3 0.10 0.04 0.05 -0.04 2.03 2.18 3hl7A1 PRO 91 HD2 0.27 0.08 0.23 -0.04 3.68 4.22 3hl7A1 PRO 91 HD3 0.33 0.23 0.10 -0.04 3.65 4.26 3hl7A1 ALA 92 H 0.11 0.00 -0.27 -0.55 8.40 7.70 3hl7A1 ALA 92 HA 0.02 0.01 0.40 -0.75 4.34 4.01 3hl7A1 ALA 92 HB3 0.21 0.01 -0.12 -0.04 1.41 1.47 3hl7A1 ARG 93 H 0.02 0.05 0.17 -0.55 8.46 8.14 3hl7A1 ARG 93 HA 0.06 0.27 0.70 -0.75 4.34 4.63 3hl7A1 ARG 93 HB2 0.01 0.06 0.09 -0.04 1.90 2.01 3hl7A1 ARG 93 HB3 0.02 -0.08 0.04 -0.04 1.80 1.74 3hl7A1 ARG 93 HG2 0.04 -0.02 0.15 -0.04 1.67 1.79 3hl7A1 ARG 93 HG3 0.04 0.09 0.07 -0.04 1.67 1.83 3hl7A1 ARG 93 HD2 0.02 -0.04 0.02 -0.04 3.22 3.17 3hl7A1 ARG 93 HD3 0.03 -0.03 0.02 -0.04 3.22 3.20 3hl7A1 SER 94 H 0.02 0.10 -0.07 -0.55 8.46 7.95 3hl7A1 SER 94 HA 0.03 0.24 0.59 -0.75 4.49 4.60 3hl7A1 SER 94 HB2 -0.06 -0.07 0.09 -0.04 3.95 3.88 3hl7A1 SER 94 HB3 -0.00 0.19 -0.15 -0.04 3.93 3.93 3hl7A1 LEU 95 H -0.32 0.21 0.11 -0.55 8.37 7.83 3hl7A1 LEU 95 HA -1.04 0.14 0.42 -0.75 4.35 3.11 3hl7A1 LEU 95 HB2 -0.46 0.07 0.11 -0.04 1.64 1.32 3hl7A1 LEU 95 HB3 -0.21 -0.05 0.12 -0.04 1.64 1.46 3hl7A1 LEU 95 HG -0.16 0.01 -0.24 -0.04 1.64 1.21 3hl7A1 LEU 95 HD13 -0.16 0.01 -0.02 -0.04 0.93 0.72 3hl7A1 LEU 95 HD23 -0.06 0.01 -0.00 -0.04 0.89 0.79 3hl7A1 GLU 96 H -0.13 0.07 -0.14 -0.55 8.60 7.85 3hl7A1 GLU 96 HA -0.08 0.11 0.33 -0.75 4.29 3.89 3hl7A1 GLU 96 HB2 -0.05 0.05 0.00 -0.04 2.09 2.06 3hl7A1 GLU 96 HB3 -0.06 0.01 0.07 -0.04 1.99 1.97 3hl7A1 GLU 96 HG2 -0.05 -0.12 -0.03 -0.04 2.34 2.10 3hl7A1 GLU 96 HG3 -0.04 0.06 -0.04 -0.04 2.34 2.28 3hl7A1 GLU 97 H -0.06 0.03 -0.46 -0.55 8.60 7.57 3hl7A1 GLU 97 HA -0.01 0.15 0.53 -0.75 4.29 4.21 3hl7A1 GLU 97 HB2 -0.01 0.02 0.02 -0.04 2.09 2.08 3hl7A1 GLU 97 HB3 -0.01 -0.10 0.07 -0.04 1.99 1.91 3hl7A1 GLU 97 HG2 0.03 -0.09 0.04 -0.04 2.34 2.28 3hl7A1 GLU 97 HG3 0.01 0.06 0.14 -0.04 2.34 2.50 3hl7A1 PHE 98 H 0.02 0.44 -0.49 -0.55 8.34 7.76 3hl7A1 PHE 98 HA 0.01 -0.07 0.47 -0.75 4.62 4.27 3hl7A1 PHE 98 HB2 -0.32 0.02 0.05 -0.04 3.15 2.86 3hl7A1 PHE 98 HB3 -0.27 0.17 0.22 -0.04 3.06 3.15 3hl7A1 PHE 98 HD2 -0.02 -0.04 0.00 -0.04 7.28 7.18 3hl7A1 PHE 98 HE2 0.21 0.12 -0.06 -0.04 7.38 7.61 3hl7A1 PHE 98 HZ 0.35 0.02 -0.22 -0.04 7.32 7.43 3hl7A1 ASN 99 H 0.03 0.07 0.29 -0.55 8.53 8.38 3hl7A1 ASN 99 HA -0.04 0.16 0.73 -0.75 4.76 4.85 3hl7A1 ASN 99 HB2 -0.02 0.04 -0.01 -0.04 2.88 2.85 3hl7A1 ASN 99 HB3 -0.03 -0.06 0.11 -0.04 2.79 2.77 3hl7A1 ASN 99 HD21 -0.04 -0.01 -0.03 -0.04 7.03 6.91 3hl7A1 ASN 99 HD22 0.03 -0.09 0.07 -0.04 7.74 7.71 3hl7A1 ASP 100 H -0.01 0.12 0.22 -0.55 8.40 8.18 3hl7A1 ASP 100 HA -0.19 0.17 0.88 -0.75 4.63 4.73 3hl7A1 ASP 100 HB2 0.10 -0.08 0.08 -0.04 2.71 2.77 3hl7A1 ASP 100 HB3 -0.06 0.08 0.03 -0.04 2.70 2.70 3hl7A1 VAL 101 H -0.29 0.26 0.23 -0.55 8.24 7.89 3hl7A1 VAL 101 HA 0.12 0.25 0.95 -0.75 4.13 4.71 3hl7A1 VAL 101 HB -0.19 -0.06 0.09 -0.04 2.12 1.92 3hl7A1 VAL 101 HG13 -0.01 0.02 -0.13 -0.04 0.97 0.80 3hl7A1 VAL 101 HG23 0.15 -0.01 -0.27 -0.04 0.95 0.77 3hl7A1 TYR 102 H -0.08 0.58 0.36 -0.55 8.29 8.61 3hl7A1 TYR 102 HA -0.32 0.31 1.12 -0.75 4.56 4.91 3hl7A1 TYR 102 HB2 -1.73 0.01 0.12 -0.04 3.06 1.41 3hl7A1 TYR 102 HB3 -0.83 -0.00 -0.09 -0.04 2.98 2.02 3hl7A1 TYR 102 HD2 -0.04 0.05 -0.17 -0.04 7.15 6.95 3hl7A1 TYR 102 HE2 -0.10 -0.05 -0.06 -0.04 6.85 6.59 3hl7A1 LEU 103 H -0.16 0.65 0.35 -0.55 8.37 8.66 3hl7A1 LEU 103 HA -0.19 0.22 1.00 -0.75 4.35 4.63 3hl7A1 LEU 103 HB2 -0.10 -0.07 0.10 -0.04 1.64 1.53 3hl7A1 LEU 103 HB3 -0.11 0.07 0.04 -0.04 1.64 1.60 3hl7A1 LEU 103 HG -0.15 -0.10 -0.29 -0.04 1.64 1.06 3hl7A1 LEU 103 HD13 -0.10 -0.00 -0.11 -0.04 0.93 0.68 3hl7A1 LEU 103 HD23 -0.11 0.03 -0.09 -0.04 0.89 0.68 3hl7A1 VAL 104 H -0.12 0.63 0.38 -0.55 8.24 8.59 3hl7A1 VAL 104 HA -0.06 0.36 1.15 -0.75 4.13 4.83 3hl7A1 VAL 104 HB -0.01 -0.09 0.08 -0.04 2.12 2.05 3hl7A1 VAL 104 HG13 -0.08 -0.00 -0.18 -0.04 0.97 0.67 3hl7A1 VAL 104 HG23 -0.11 -0.00 -0.32 -0.04 0.95 0.48 3hl7A1 THR 105 H -0.02 0.61 0.38 -0.55 8.28 8.70 3hl7A1 THR 105 HA -0.06 0.08 0.73 -0.75 4.39 4.39 3hl7A1 THR 105 HB 0.02 0.05 -0.07 -0.04 4.32 4.28 3hl7A1 THR 105 HG23 0.03 0.05 -0.11 -0.04 1.22 1.15 3hl7A1 HIS 106 H 0.08 0.17 0.16 -0.55 8.41 8.27 3hl7A1 HIS 106 HA 0.03 0.11 0.55 -0.75 4.63 4.57 3hl7A1 HIS 106 HB2 0.02 -0.03 0.02 -0.04 3.26 3.23 3hl7A1 HIS 106 HB3 0.02 0.08 0.01 -0.04 3.20 3.27 3hl7A1 HIS 106 HD2 0.02 -0.00 0.01 -0.04 6.97 6.95 3hl7A1 HIS 106 HE1 0.03 0.06 -0.04 -0.04 7.75 7.75 3hl7A1 LEU 107 H 0.09 0.63 0.27 -0.55 8.37 8.82 3hl7A1 LEU 107 HA 0.05 0.02 0.38 -0.75 4.35 4.05 3hl7A1 LEU 107 HB2 0.05 -0.02 -0.49 -0.04 1.64 1.14 3hl7A1 LEU 107 HB3 0.07 -0.03 -0.10 -0.04 1.64 1.54 3hl7A1 LEU 107 HG 0.04 -0.02 -0.43 -0.04 1.64 1.20 3hl7A1 LEU 107 HD13 0.03 0.02 -0.10 -0.04 0.93 0.84 3hl7A1 LEU 107 HD23 0.05 -0.00 -0.09 -0.04 0.89 0.81 3hl7A1 MET 108 H 0.04 0.20 0.11 -0.55 8.47 8.27 3hl7A1 MET 108 HA 0.04 0.10 0.73 -0.75 4.52 4.63 3hl7A1 MET 108 HB2 0.03 0.01 0.00 -0.04 2.15 2.15 3hl7A1 MET 108 HB3 0.02 -0.04 -0.16 -0.04 2.03 1.81 3hl7A1 MET 108 HG2 0.05 0.16 -0.23 -0.04 2.63 2.57 3hl7A1 MET 108 HG3 0.03 -0.03 -0.15 -0.04 2.56 2.37 3hl7A1 MET 108 HE3 -0.00 -0.04 -0.33 -0.04 2.10 1.69 3hl7A1 GLY 109 H 0.03 0.09 0.08 -0.55 8.43 8.07 3hl7A1 GLY 109 HA2 0.02 0.08 0.23 -0.51 4.01 3.83 3hl7A1 GLY 109 HA3 0.02 -0.06 0.31 -0.51 4.01 3.78 3hl7A1 ALA 110 H 0.02 0.30 0.07 -0.55 8.40 8.23 3hl7A1 ALA 110 HA 0.01 0.15 0.71 -0.75 4.34 4.46 3hl7A1 ALA 110 HB3 0.01 0.02 -0.06 -0.04 1.41 1.33 3hl7A1 ASP 111 H 0.01 0.14 0.22 -0.55 8.40 8.22 3hl7A1 ASP 111 HA -0.01 0.30 0.89 -0.75 4.63 5.06 3hl7A1 ASP 111 HB2 -0.02 0.16 0.22 -0.04 2.71 3.03 3hl7A1 ASP 111 HB3 -0.01 0.09 -0.05 -0.04 2.70 2.69 3hl7A1 LEU 112 H -0.02 0.62 0.31 -0.55 8.37 8.73 3hl7A1 LEU 112 HA -0.00 0.08 0.38 -0.75 4.35 4.05 3hl7A1 LEU 112 HB2 -0.04 0.12 0.24 -0.04 1.64 1.91 3hl7A1 LEU 112 HB3 -0.02 -0.03 0.00 -0.04 1.64 1.55 3hl7A1 LEU 112 HG -0.03 0.06 -0.06 -0.04 1.64 1.58 3hl7A1 LEU 112 HD13 -0.03 -0.00 -0.07 -0.04 0.93 0.79 3hl7A1 LEU 112 HD23 0.01 0.00 -0.05 -0.04 0.89 0.81 3hl7A1 ASN 113 H -0.01 0.17 -0.37 -0.55 8.53 7.77 3hl7A1 ASN 113 HA 0.03 0.09 0.46 -0.75 4.76 4.59 3hl7A1 ASN 113 HB2 -0.00 -0.13 -0.09 -0.04 2.88 2.61 3hl7A1 ASN 113 HB3 0.00 0.01 -0.02 -0.04 2.79 2.74 3hl7A1 ASN 113 HD21 0.04 0.05 -0.05 -0.04 7.03 7.02 3hl7A1 ASN 113 HD22 0.01 -0.03 -0.04 -0.04 7.74 7.63 3hl7A1 ASN 114 H 0.01 0.00 -0.22 -0.55 8.53 7.78 3hl7A1 ASN 114 HA 0.02 0.07 0.36 -0.75 4.76 4.45 3hl7A1 ASN 114 HB2 0.01 0.10 0.14 -0.04 2.88 3.08 3hl7A1 ASN 114 HB3 0.01 0.07 0.02 -0.04 2.79 2.85 3hl7A1 ASN 114 HD21 0.01 0.09 0.06 -0.04 7.03 7.14 3hl7A1 ASN 114 HD22 0.01 -0.10 0.18 -0.04 7.74 7.79 3hl7A1 ILE 115 H 0.01 0.11 -0.39 -0.55 8.25 7.42 3hl7A1 ILE 115 HA 0.01 0.09 0.29 -0.75 4.18 3.82 3hl7A1 ILE 115 HB 0.01 -0.08 0.11 -0.04 1.89 1.89 3hl7A1 ILE 115 HG12 0.01 0.10 -0.21 -0.04 1.49 1.35 3hl7A1 ILE 115 HG13 0.02 -0.04 -0.16 -0.04 1.21 0.99 3hl7A1 ILE 115 HG23 0.02 -0.00 -0.21 -0.04 0.93 0.69 3hl7A1 ILE 115 HD13 0.02 -0.05 -0.22 -0.04 0.88 0.59 3hl7A1 VAL 116 H 0.02 0.39 0.07 -0.55 8.24 8.17 3hl7A1 VAL 116 HA 0.01 0.09 0.37 -0.75 4.13 3.84 3hl7A1 VAL 116 HB 0.04 -0.04 0.03 -0.04 2.12 2.12 3hl7A1 VAL 116 HG13 0.03 -0.02 -0.12 -0.04 0.97 0.82 3hl7A1 VAL 116 HG23 0.03 0.03 0.04 -0.04 0.95 1.00 3hl7A1 LYS 117 H 0.03 0.31 -0.35 -0.55 8.42 7.86 3hl7A1 LYS 117 HA 0.04 -0.12 0.30 -0.75 4.32 3.78 3hl7A1 LYS 117 HB2 0.04 0.06 0.10 -0.04 1.87 2.04 3hl7A1 LYS 117 HB3 0.03 0.12 0.09 -0.04 1.79 1.99 3hl7A1 LYS 117 HG2 0.04 -0.08 -0.04 -0.04 1.46 1.34 3hl7A1 LYS 117 HG3 0.03 0.02 -0.16 -0.04 1.46 1.31 3hl7A1 LYS 117 HD2 0.05 -0.05 -0.03 -0.04 1.69 1.62 3hl7A1 LYS 117 HD3 0.04 0.00 0.00 -0.04 1.68 1.69 3hl7A1 LYS 117 HE2 0.10 -0.04 -0.02 -0.04 2.99 2.99 3hl7A1 LYS 117 HE3 0.08 0.01 -0.01 -0.04 2.99 3.03 3hl7A1 CYS 118 H 0.02 0.07 0.29 -0.55 8.50 8.33 3hl7A1 CYS 118 HA 0.01 -0.07 0.36 -0.75 4.58 4.13 3hl7A1 CYS 118 HB2 0.01 0.17 0.06 -0.04 2.97 3.17 3hl7A1 CYS 118 HB3 0.01 -0.07 0.14 -0.04 2.97 3.00 3hl7A1 GLN 119 H 0.00 0.31 -0.01 -0.55 8.47 8.23 3hl7A1 GLN 119 HA -0.01 -0.10 0.50 -0.75 4.36 4.00 3hl7A1 GLN 119 HB2 -0.01 -0.02 0.10 -0.04 2.15 2.18 3hl7A1 GLN 119 HB3 0.00 0.40 -0.36 -0.04 2.02 2.02 3hl7A1 GLN 119 HG2 -0.01 -0.06 -0.11 -0.04 2.40 2.18 3hl7A1 GLN 119 HG3 -0.02 -0.08 -0.31 -0.04 2.39 1.93 3hl7A1 GLN 119 HE21 -0.04 -0.08 -0.01 -0.04 6.97 6.81 3hl7A1 GLN 119 HE22 -0.02 0.07 0.03 -0.04 7.69 7.73 3hl7A1 LYS 120 H -0.02 0.10 0.10 -0.55 8.42 8.05 3hl7A1 LYS 120 HA -0.01 0.18 0.73 -0.75 4.32 4.46 3hl7A1 LYS 120 HB2 -0.01 -0.02 0.06 -0.04 1.87 1.86 3hl7A1 LYS 120 HB3 -0.01 -0.07 0.11 -0.04 1.79 1.77 3hl7A1 LYS 120 HG2 -0.00 -0.07 -0.04 -0.04 1.46 1.31 3hl7A1 LYS 120 HG3 -0.00 0.11 -0.17 -0.04 1.46 1.36 3hl7A1 LYS 120 HD2 0.00 0.03 -0.02 -0.04 1.69 1.66 3hl7A1 LYS 120 HD3 -0.00 -0.04 -0.07 -0.04 1.68 1.53 3hl7A1 LYS 120 HE2 0.01 -0.09 -0.03 -0.04 2.99 2.83 3hl7A1 LYS 120 HE3 0.01 0.17 -0.20 -0.04 2.99 2.93 3hl7A1 LEU 121 H -0.01 0.30 0.21 -0.55 8.37 8.33 3hl7A1 LEU 121 HA -0.12 0.03 0.59 -0.75 4.35 4.09 3hl7A1 LEU 121 HB2 0.03 0.14 0.05 -0.04 1.64 1.83 3hl7A1 LEU 121 HB3 0.04 -0.12 0.01 -0.04 1.64 1.52 3hl7A1 LEU 121 HG 0.01 0.15 0.08 -0.04 1.64 1.83 3hl7A1 LEU 121 HD13 0.05 -0.04 -0.07 -0.04 0.93 0.83 3hl7A1 LEU 121 HD23 -0.04 -0.02 -0.26 -0.04 0.89 0.53 3hl7A1 THR 122 H -0.08 0.08 0.19 -0.55 8.28 7.92 3hl7A1 THR 122 HA 0.05 0.23 0.66 -0.75 4.39 4.57 3hl7A1 THR 122 HB 0.10 -0.07 0.18 -0.04 4.32 4.49 3hl7A1 THR 122 HG23 0.03 0.06 0.08 -0.04 1.22 1.35 3hl7A1 ASP 123 H 0.08 0.22 0.19 -0.55 8.40 8.34 3hl7A1 ASP 123 HA 0.13 0.14 0.44 -0.75 4.63 4.58 3hl7A1 ASP 123 HB2 0.09 0.09 0.19 -0.04 2.71 3.04 3hl7A1 ASP 123 HB3 0.08 0.01 0.12 -0.04 2.70 2.87 3hl7A1 ASP 124 H 0.11 0.08 -0.17 -0.55 8.40 7.88 3hl7A1 ASP 124 HA 0.06 0.11 0.45 -0.75 4.63 4.50 3hl7A1 ASP 124 HB2 0.10 -0.04 0.08 -0.04 2.71 2.81 3hl7A1 ASP 124 HB3 0.02 0.09 -0.03 -0.04 2.70 2.74 3hl7A1 HIS 125 H 0.31 0.07 -0.22 -0.55 8.41 8.03 3hl7A1 HIS 125 HA 0.13 0.09 0.44 -0.75 4.63 4.54 3hl7A1 HIS 125 HB2 0.06 0.08 0.11 -0.04 3.26 3.48 3hl7A1 HIS 125 HB3 0.07 0.05 -0.06 -0.04 3.20 3.22 3hl7A1 HIS 125 HD2 0.08 0.04 -0.03 -0.04 6.97 7.02 3hl7A1 HIS 125 HE1 0.03 0.02 0.01 -0.04 7.75 7.76 3hl7A1 VAL 126 H 0.18 0.42 -0.25 -0.55 8.24 8.04 3hl7A1 VAL 126 HA 0.13 0.03 0.37 -0.75 4.13 3.91 3hl7A1 VAL 126 HB 0.20 0.05 0.08 -0.04 2.12 2.41 3hl7A1 VAL 126 HG13 0.16 -0.01 -0.10 -0.04 0.97 0.98 3hl7A1 VAL 126 HG23 0.10 0.10 -0.16 -0.04 0.95 0.95 3hl7A1 GLN 127 H 0.08 0.54 -0.13 -0.55 8.47 8.41 3hl7A1 GLN 127 HA -0.01 -0.02 0.38 -0.75 4.36 3.96 3hl7A1 GLN 127 HB2 0.11 0.17 0.17 -0.04 2.15 2.55 3hl7A1 GLN 127 HB3 0.11 -0.03 -0.02 -0.04 2.02 2.04 3hl7A1 GLN 127 HG2 -1.57 -0.02 0.03 -0.04 2.40 0.80 3hl7A1 GLN 127 HG3 -0.41 0.11 0.11 -0.04 2.39 2.17 3hl7A1 GLN 127 HE21 -0.07 -0.04 -0.01 -0.04 6.97 6.81 3hl7A1 GLN 127 HE22 -0.10 -0.08 -0.06 -0.04 7.69 7.41 3hl7A1 PHE 128 H 0.12 0.36 -0.31 -0.55 8.34 7.97 3hl7A1 PHE 128 HA -0.71 0.04 0.34 -0.75 4.62 3.53 3hl7A1 PHE 128 HB2 -0.36 0.01 0.08 -0.04 3.15 2.84 3hl7A1 PHE 128 HB3 -0.16 0.07 0.13 -0.04 3.06 3.06 3hl7A1 PHE 128 HD2 -0.53 -0.03 0.01 -0.04 7.28 6.68 3hl7A1 PHE 128 HE2 -0.04 0.04 -0.07 -0.04 7.38 7.26 3hl7A1 PHE 128 HZ -0.01 -0.02 -0.05 -0.04 7.32 7.20 3hl7A1 LEU 129 H 0.05 0.61 -0.02 -0.55 8.37 8.46 3hl7A1 LEU 129 HA -0.27 0.09 0.44 -0.75 4.35 3.86 3hl7A1 LEU 129 HB2 0.04 0.11 0.16 -0.04 1.64 1.92 3hl7A1 LEU 129 HB3 -0.02 -0.06 -0.07 -0.04 1.64 1.45 3hl7A1 LEU 129 HG -0.02 -0.06 -0.06 -0.04 1.64 1.46 3hl7A1 LEU 129 HD13 -0.07 -0.02 -0.05 -0.04 0.93 0.75 3hl7A1 LEU 129 HD23 0.09 0.03 -0.09 -0.04 0.89 0.88 3hl7A1 ILE 130 H 0.10 0.69 -0.06 -0.55 8.25 8.43 3hl7A1 ILE 130 HA 0.00 -0.02 0.43 -0.75 4.18 3.84 3hl7A1 ILE 130 HB 0.42 0.11 0.05 -0.04 1.89 2.44 3hl7A1 ILE 130 HG12 0.14 0.16 0.09 -0.04 1.49 1.84 3hl7A1 ILE 130 HG13 0.15 -0.05 -0.01 -0.04 1.21 1.26 3hl7A1 ILE 130 HG23 0.21 -0.02 -0.10 -0.04 0.93 0.97 3hl7A1 ILE 130 HD13 0.03 -0.01 -0.10 -0.04 0.88 0.76 3hl7A1 TYR 131 H 0.14 0.59 -0.23 -0.55 8.29 8.24 3hl7A1 TYR 131 HA -0.83 -0.03 0.38 -0.75 4.56 3.33 3hl7A1 TYR 131 HB2 -0.08 0.01 0.12 -0.04 3.06 3.07 3hl7A1 TYR 131 HB3 -0.23 0.13 0.19 -0.04 2.98 3.03 3hl7A1 TYR 131 HD2 -0.26 0.02 -0.04 -0.04 7.15 6.83 3hl7A1 TYR 131 HE2 0.11 0.01 -0.06 -0.04 6.85 6.86 3hl7A1 GLN 132 H -0.22 0.51 -0.23 -0.55 8.47 7.99 3hl7A1 GLN 132 HA -0.34 0.01 0.38 -0.75 4.36 3.65 3hl7A1 GLN 132 HB2 -0.32 0.15 0.21 -0.04 2.15 2.15 3hl7A1 GLN 132 HB3 -0.24 -0.01 0.06 -0.04 2.02 1.79 3hl7A1 GLN 132 HG2 -0.22 -0.06 0.07 -0.04 2.40 2.15 3hl7A1 GLN 132 HG3 -0.56 0.15 0.12 -0.04 2.39 2.06 3hl7A1 GLN 132 HE21 -0.86 0.57 0.16 -0.04 6.97 6.80 3hl7A1 GLN 132 HE22 -1.36 0.11 -0.17 -0.04 7.69 6.22 3hl7A1 ILE 133 H -0.18 0.50 -0.11 -0.55 8.25 7.92 3hl7A1 ILE 133 HA -0.14 0.04 0.49 -0.75 4.18 3.82 3hl7A1 ILE 133 HB -0.10 0.11 0.14 -0.04 1.89 2.01 3hl7A1 ILE 133 HG12 -0.09 -0.06 -0.03 -0.04 1.49 1.28 3hl7A1 ILE 133 HG13 -0.11 0.22 0.05 -0.04 1.21 1.32 3hl7A1 ILE 133 HG23 -0.09 -0.04 -0.11 -0.04 0.93 0.65 3hl7A1 ILE 133 HD13 -0.05 -0.03 -0.11 -0.04 0.88 0.64 3hl7A1 LEU 134 H -0.25 0.66 -0.15 -0.55 8.37 8.09 3hl7A1 LEU 134 HA -0.17 -0.09 0.39 -0.75 4.35 3.73 3hl7A1 LEU 134 HB2 -0.40 0.19 0.11 -0.04 1.64 1.49 3hl7A1 LEU 134 HB3 -0.20 -0.04 0.02 -0.04 1.64 1.38 3hl7A1 LEU 134 HG -0.11 0.07 0.02 -0.04 1.64 1.58 3hl7A1 LEU 134 HD13 -0.10 -0.01 -0.17 -0.04 0.93 0.61 3hl7A1 LEU 134 HD23 -0.03 -0.04 -0.04 -0.04 0.89 0.75 3hl7A1 ARG 135 H -0.42 0.54 -0.17 -0.55 8.46 7.86 3hl7A1 ARG 135 HA -0.21 0.02 0.46 -0.75 4.34 3.86 3hl7A1 ARG 135 HB2 -0.72 0.09 0.10 -0.04 1.90 1.33 3hl7A1 ARG 135 HB3 -0.27 0.06 0.16 -0.04 1.80 1.71 3hl7A1 ARG 135 HG2 0.18 -0.06 -0.09 -0.04 1.67 1.66 3hl7A1 ARG 135 HG3 -0.04 -0.03 0.10 -0.04 1.67 1.66 3hl7A1 ARG 135 HD2 -0.12 0.00 0.02 -0.04 3.22 3.09 3hl7A1 ARG 135 HD3 -0.06 -0.04 0.02 -0.04 3.22 3.10 3hl7A1 GLY 136 H -0.21 0.62 -0.08 -0.55 8.43 8.21 3hl7A1 GLY 136 HA2 -0.59 -0.02 0.45 -0.51 4.01 3.34 3hl7A1 GLY 136 HA3 -0.23 0.16 0.29 -0.51 4.01 3.72 3hl7A1 LEU 137 H -0.22 0.67 -0.09 -0.55 8.37 8.19 3hl7A1 LEU 137 HA -0.33 -0.02 0.42 -0.75 4.35 3.66 3hl7A1 LEU 137 HB2 -0.24 0.11 0.14 -0.04 1.64 1.61 3hl7A1 LEU 137 HB3 -0.60 -0.13 -0.01 -0.04 1.64 0.87 3hl7A1 LEU 137 HG -0.16 0.18 0.02 -0.04 1.64 1.64 3hl7A1 LEU 137 HD13 -0.06 -0.02 -0.12 -0.04 0.93 0.69 3hl7A1 LEU 137 HD23 -0.15 -0.03 0.02 -0.04 0.89 0.69 3hl7A1 LYS 138 H -0.19 0.72 -0.19 -0.55 8.42 8.20 3hl7A1 LYS 138 HA -0.06 -0.17 0.40 -0.75 4.32 3.74 3hl7A1 LYS 138 HB2 -0.06 -0.05 0.01 -0.04 1.87 1.73 3hl7A1 LYS 138 HB3 -0.07 0.26 0.12 -0.04 1.79 2.06 3hl7A1 LYS 138 HG2 0.02 0.11 -0.30 -0.04 1.46 1.24 3hl7A1 LYS 138 HG3 0.02 -0.20 0.01 -0.04 1.46 1.25 3hl7A1 LYS 138 HD2 0.03 -0.11 -0.03 -0.04 1.69 1.54 3hl7A1 LYS 138 HD3 0.04 0.15 -0.08 -0.04 1.68 1.74 3hl7A1 LYS 138 HE2 0.05 0.01 -0.11 -0.04 2.99 2.89 3hl7A1 LYS 138 HE3 0.05 -0.17 -0.01 -0.04 2.99 2.82 3hl7A1 TYR 139 H -0.13 0.38 -0.35 -0.55 8.29 7.65 3hl7A1 TYR 139 HA -0.10 -0.01 0.43 -0.75 4.56 4.13 3hl7A1 TYR 139 HB2 -0.42 0.17 0.07 -0.04 3.06 2.84 3hl7A1 TYR 139 HB3 -0.60 0.10 0.14 -0.04 2.98 2.58 3hl7A1 TYR 139 HD2 -0.10 0.05 -0.36 -0.04 7.15 6.69 3hl7A1 TYR 139 HE2 -0.02 0.05 -0.14 -0.04 6.85 6.70 3hl7A1 ILE 140 H -0.14 0.55 -0.01 -0.55 8.25 8.11 3hl7A1 ILE 140 HA -0.18 0.05 0.30 -0.75 4.18 3.60 3hl7A1 ILE 140 HB -0.19 -0.02 0.15 -0.04 1.89 1.78 3hl7A1 ILE 140 HG12 -0.55 0.01 -0.05 -0.04 1.49 0.87 3hl7A1 ILE 140 HG13 -0.22 0.14 0.03 -0.04 1.21 1.12 3hl7A1 ILE 140 HG23 -0.03 0.02 -0.22 -0.04 0.93 0.66 3hl7A1 ILE 140 HD13 -0.27 -0.04 -0.12 -0.04 0.88 0.41 3hl7A1 HIS 141 H -0.09 0.74 -0.07 -0.55 8.41 8.45 3hl7A1 HIS 141 HA -0.02 0.13 0.41 -0.75 4.63 4.39 3hl7A1 HIS 141 HB2 -0.02 0.15 0.17 -0.04 3.26 3.52 3hl7A1 HIS 141 HB3 -0.00 -0.11 0.07 -0.04 3.20 3.12 3hl7A1 HIS 141 HD2 0.01 0.32 0.12 -0.04 6.97 7.38 3hl7A1 HIS 141 HE1 0.05 -0.07 0.02 -0.04 7.75 7.70 3hl7A1 SER 142 H -0.02 0.55 -0.17 -0.55 8.46 8.27 3hl7A1 SER 142 HA 0.01 -0.03 0.54 -0.75 4.49 4.26 3hl7A1 SER 142 HB2 -0.02 -0.04 0.20 -0.04 3.95 4.04 3hl7A1 SER 142 HB3 -0.02 0.09 0.22 -0.04 3.93 4.18 3hl7A1 ALA 143 H -0.09 0.42 -0.38 -0.55 8.40 7.81 3hl7A1 ALA 143 HA -0.01 0.14 0.73 -0.75 4.34 4.44 3hl7A1 ALA 143 HB3 -0.11 0.02 0.09 -0.04 1.41 1.37 3hl7A1 ASP 144 H 0.01 0.43 -0.37 -0.55 8.40 7.92 3hl7A1 ASP 144 HA 0.00 0.01 0.30 -0.75 4.63 4.20 3hl7A1 ASP 144 HB2 0.02 0.14 -0.03 -0.04 2.71 2.79 3hl7A1 ASP 144 HB3 -0.00 -0.09 0.22 -0.04 2.70 2.79 3hl7A1 ILE 145 H 0.03 0.35 -0.11 -0.55 8.25 7.97 3hl7A1 ILE 145 HA 0.06 0.14 0.76 -0.75 4.18 4.38 3hl7A1 ILE 145 HB -0.01 0.10 -0.03 -0.04 1.89 1.91 3hl7A1 ILE 145 HG12 0.04 0.00 -0.12 -0.04 1.49 1.38 3hl7A1 ILE 145 HG13 0.01 0.16 -0.39 -0.04 1.21 0.95 3hl7A1 ILE 145 HG23 0.09 -0.03 -0.25 -0.04 0.93 0.70 3hl7A1 ILE 145 HD13 -0.43 -0.00 -0.08 -0.04 0.88 0.32 3hl7A1 ILE 146 H 0.08 0.28 0.08 -0.55 8.25 8.14 3hl7A1 ILE 146 HA 0.18 0.10 0.82 -0.75 4.18 4.53 3hl7A1 ILE 146 HB 0.14 0.08 -0.04 -0.04 1.89 2.03 3hl7A1 ILE 146 HG12 -0.04 -0.05 -0.15 -0.04 1.49 1.20 3hl7A1 ILE 146 HG13 0.02 0.07 -0.29 -0.04 1.21 0.97 3hl7A1 ILE 146 HG23 0.16 -0.04 -0.06 -0.04 0.93 0.96 3hl7A1 ILE 146 HD13 0.05 0.02 -0.24 -0.04 0.88 0.68 3hl7A1 HIS 147 H 0.31 0.15 0.09 -0.55 8.41 8.41 3hl7A1 HIS 147 HA 0.16 -0.04 0.68 -0.75 4.63 4.68 3hl7A1 HIS 147 HB2 0.11 0.11 0.11 -0.04 3.26 3.54 3hl7A1 HIS 147 HB3 0.10 -0.12 0.13 -0.04 3.20 3.27 3hl7A1 HIS 147 HD2 0.16 0.03 -0.09 -0.04 6.97 7.03 3hl7A1 HIS 147 HE1 -0.00 0.15 -0.28 -0.04 7.75 7.57 3hl7A1 ARG 148 H 0.23 0.05 -0.03 -0.55 8.46 8.16 3hl7A1 ARG 148 HA 0.08 -0.01 0.24 -0.75 4.34 3.89 3hl7A1 ARG 148 HB2 0.07 0.21 0.18 -0.04 1.90 2.32 3hl7A1 ARG 148 HB3 -0.01 0.02 0.04 -0.04 1.80 1.81 3hl7A1 ARG 148 HG2 0.05 -0.05 -0.13 -0.04 1.67 1.51 3hl7A1 ARG 148 HG3 0.12 -0.03 -0.62 -0.04 1.67 1.10 3hl7A1 ARG 148 HD2 0.06 0.04 -0.16 -0.04 3.22 3.13 3hl7A1 ARG 148 HD3 0.03 0.01 -0.08 -0.04 3.22 3.14 3hl7A1 ASP 149 H 0.65 0.10 -0.62 -0.55 8.40 7.98 3hl7A1 ASP 149 HA 0.09 0.22 0.54 -0.75 4.63 4.73 3hl7A1 ASP 149 HB2 0.08 0.02 -0.21 -0.04 2.71 2.56 3hl7A1 ASP 149 HB3 0.17 0.04 0.04 -0.04 2.70 2.90 3hl7A1 LEU 150 H -0.06 0.02 -0.13 -0.55 8.37 7.64 3hl7A1 LEU 150 HA -0.59 0.09 0.42 -0.75 4.35 3.52 3hl7A1 LEU 150 HB2 -0.14 -0.12 0.11 -0.04 1.64 1.46 3hl7A1 LEU 150 HB3 -0.12 0.07 -0.11 -0.04 1.64 1.43 3hl7A1 LEU 150 HG -0.38 -0.09 0.00 -0.04 1.64 1.13 3hl7A1 LEU 150 HD13 -0.07 0.02 -0.06 -0.04 0.93 0.79 3hl7A1 LEU 150 HD23 -0.27 0.03 -0.05 -0.04 0.89 0.56 3hl7A1 LYS 151 H -0.21 0.29 0.21 -0.55 8.42 8.15 3hl7A1 LYS 151 HA -0.60 0.19 0.48 -0.75 4.32 3.63 3hl7A1 LYS 151 HB2 -0.44 0.01 0.08 -0.04 1.87 1.49 3hl7A1 LYS 151 HB3 -0.15 0.18 -0.17 -0.04 1.79 1.61 3hl7A1 LYS 151 HG2 -0.09 0.14 -0.06 -0.04 1.46 1.40 3hl7A1 LYS 151 HG3 -0.12 -0.27 -0.16 -0.04 1.46 0.88 3hl7A1 LYS 151 HD2 -0.03 0.01 -0.08 -0.04 1.69 1.55 3hl7A1 LYS 151 HD3 0.01 0.04 -0.11 -0.04 1.68 1.58 3hl7A1 LYS 151 HE2 -0.01 0.15 -0.03 -0.04 2.99 3.06 3hl7A1 LYS 151 HE3 -0.04 -0.06 -0.09 -0.04 2.99 2.75 3hl7A1 PRO 152 HA -0.12 0.10 0.38 -0.51 4.44 4.28 3hl7A1 PRO 152 HB2 -0.05 0.02 -0.02 -0.04 2.28 2.19 3hl7A1 PRO 152 HB3 -0.04 0.04 -0.23 -0.04 2.02 1.75 3hl7A1 PRO 152 HG2 -0.02 0.12 -0.00 -0.04 2.03 2.09 3hl7A1 PRO 152 HG3 -0.14 0.07 0.00 -0.04 2.03 1.92 3hl7A1 PRO 152 HD2 -0.68 0.15 0.14 -0.04 3.68 3.25 3hl7A1 PRO 152 HD3 -1.20 0.18 0.13 -0.04 3.65 2.72 3hl7A1 SER 153 H -0.11 0.17 -0.28 -0.55 8.46 7.70 3hl7A1 SER 153 HA -0.03 -0.02 0.39 -0.75 4.49 4.08 3hl7A1 SER 153 HB2 -0.03 0.07 0.07 -0.04 3.95 4.02 3hl7A1 SER 153 HB3 -0.03 -0.00 0.05 -0.04 3.93 3.90 3hl7A1 ASN 154 H -0.08 0.36 -0.31 -0.55 8.53 7.95 3hl7A1 ASN 154 HA -0.01 0.26 0.95 -0.75 4.76 5.21 3hl7A1 ASN 154 HB2 0.08 0.10 0.15 -0.04 2.88 3.16 3hl7A1 ASN 154 HB3 0.00 -0.02 -0.06 -0.04 2.79 2.68 3hl7A1 ASN 154 HD21 0.05 0.67 0.13 -0.04 7.03 7.84 3hl7A1 ASN 154 HD22 0.06 -0.07 -0.03 -0.04 7.74 7.66 3hl7A1 LEU 155 H -0.05 0.37 -0.18 -0.55 8.37 7.96 3hl7A1 LEU 155 HA -0.02 0.22 0.92 -0.75 4.35 4.72 3hl7A1 LEU 155 HB2 -0.06 -0.07 0.21 -0.04 1.64 1.68 3hl7A1 LEU 155 HB3 -0.05 0.05 0.00 -0.04 1.64 1.60 3hl7A1 LEU 155 HG -0.09 -0.01 -0.22 -0.04 1.64 1.27 3hl7A1 LEU 155 HD13 -0.09 -0.03 -0.15 -0.04 0.93 0.62 3hl7A1 LEU 155 HD23 -0.06 0.02 -0.01 -0.04 0.89 0.79 3hl7A1 ALA 156 H 0.00 0.64 0.21 -0.55 8.40 8.71 3hl7A1 ALA 156 HA -0.00 0.22 0.88 -0.75 4.34 4.68 3hl7A1 ALA 156 HB3 0.01 -0.01 0.02 -0.04 1.41 1.39 3hl7A1 VAL 157 H 0.00 0.67 0.17 -0.55 8.24 8.53 3hl7A1 VAL 157 HA -0.01 0.38 0.94 -0.75 4.13 4.68 3hl7A1 VAL 157 HB 0.01 -0.06 -0.25 -0.04 2.12 1.78 3hl7A1 VAL 157 HG13 0.01 0.07 -0.24 -0.04 0.97 0.77 3hl7A1 VAL 157 HG23 -0.02 0.01 -0.46 -0.04 0.95 0.44 3hl7A1 ASN 158 H 0.01 0.58 0.16 -0.55 8.53 8.74 3hl7A1 ASN 158 HA 0.03 0.10 0.92 -0.75 4.76 5.04 3hl7A1 ASN 158 HB2 0.03 -0.01 0.09 -0.04 2.88 2.95 3hl7A1 ASN 158 HB3 0.03 -0.11 0.17 -0.04 2.79 2.84 3hl7A1 ASN 158 HD21 0.01 0.15 -0.03 -0.04 7.03 7.11 3hl7A1 ASN 158 HD22 0.01 -0.02 -0.02 -0.04 7.74 7.67 3hl7A1 GLU 159 H 0.03 0.18 0.15 -0.55 8.60 8.41 3hl7A1 GLU 159 HA 0.04 0.15 0.37 -0.75 4.29 4.10 3hl7A1 GLU 159 HB2 0.03 -0.02 0.13 -0.04 2.09 2.19 3hl7A1 GLU 159 HB3 0.04 0.05 0.03 -0.04 1.99 2.07 3hl7A1 GLU 159 HG2 0.03 0.05 0.03 -0.04 2.34 2.41 3hl7A1 GLU 159 HG3 0.03 -0.02 0.04 -0.04 2.34 2.35 3hl7A1 ASP 160 H 0.05 0.01 -0.29 -0.55 8.40 7.62 3hl7A1 ASP 160 HA 0.06 0.25 0.77 -0.75 4.63 4.96 3hl7A1 ASP 160 HB2 0.05 0.06 0.15 -0.04 2.71 2.93 3hl7A1 ASP 160 HB3 0.04 0.00 0.02 -0.04 2.70 2.73 3hl7A1 CYS 161 H 0.08 0.47 -0.54 -0.55 8.50 7.97 3hl7A1 CYS 161 HA 0.08 0.10 0.18 -0.75 4.58 4.17 3hl7A1 CYS 161 HB2 0.35 0.15 -0.01 -0.04 2.97 3.43 3hl7A1 CYS 161 HB3 0.21 -0.05 0.10 -0.04 2.97 3.19 3hl7A1 GLU 162 H 0.07 -0.08 -0.50 -0.55 8.60 7.54 3hl7A1 GLU 162 HA -0.07 0.14 0.61 -0.75 4.29 4.21 3hl7A1 GLU 162 HB2 0.01 -0.15 0.03 -0.04 2.09 1.94 3hl7A1 GLU 162 HB3 -0.02 0.12 -0.07 -0.04 1.99 1.99 3hl7A1 GLU 162 HG2 0.08 0.06 -0.00 -0.04 2.34 2.44 3hl7A1 GLU 162 HG3 0.11 0.05 -0.09 -0.04 2.34 2.37 3hl7A1 LEU 163 H -0.14 0.22 0.19 -0.55 8.37 8.09 3hl7A1 LEU 163 HA -0.06 0.34 0.92 -0.75 4.35 4.79 3hl7A1 LEU 163 HB2 -0.15 0.02 -0.14 -0.04 1.64 1.33 3hl7A1 LEU 163 HB3 -0.19 -0.04 0.09 -0.04 1.64 1.45 3hl7A1 LEU 163 HG -0.07 0.10 -0.11 -0.04 1.64 1.52 3hl7A1 LEU 163 HD13 -0.10 -0.00 -0.09 -0.04 0.93 0.70 3hl7A1 LEU 163 HD23 -0.10 -0.03 -0.43 -0.04 0.89 0.29 3hl7A1 LYS 164 H -0.03 0.67 0.29 -0.55 8.42 8.80 3hl7A1 LYS 164 HA -0.02 0.22 0.54 -0.75 4.32 4.30 3hl7A1 LYS 164 HB2 0.02 -0.07 -0.10 -0.04 1.87 1.68 3hl7A1 LYS 164 HB3 0.04 -0.04 -0.32 -0.04 1.79 1.43 3hl7A1 LYS 164 HG2 -0.02 0.26 -0.10 -0.04 1.46 1.56 3hl7A1 LYS 164 HG3 -0.02 -0.09 -0.40 -0.04 1.46 0.91 3hl7A1 LYS 164 HD2 0.04 -0.08 -0.18 -0.04 1.69 1.43 3hl7A1 LYS 164 HD3 0.03 0.10 -0.33 -0.04 1.68 1.44 3hl7A1 LYS 164 HE2 -0.05 -0.07 -0.15 -0.04 2.99 2.68 3hl7A1 LYS 164 HE3 -0.05 -0.07 -0.07 -0.04 2.99 2.77 3hl7A1 ILE 165 H 0.01 0.64 0.25 -0.55 8.25 8.59 3hl7A1 ILE 165 HA 0.06 0.15 0.87 -0.75 4.18 4.50 3hl7A1 ILE 165 HB 0.03 -0.02 0.24 -0.04 1.89 2.10 3hl7A1 ILE 165 HG12 -0.04 -0.05 0.04 -0.04 1.49 1.40 3hl7A1 ILE 165 HG13 -0.05 0.16 0.11 -0.04 1.21 1.39 3hl7A1 ILE 165 HG23 0.28 -0.03 -0.07 -0.04 0.93 1.07 3hl7A1 ILE 165 HD13 -0.10 0.00 0.02 -0.04 0.88 0.75 3hl7A1 LEU 166 H 0.13 0.69 0.38 -0.55 8.37 9.02 3hl7A1 LEU 166 HA 0.21 0.18 0.80 -0.75 4.35 4.78 3hl7A1 LEU 166 HB2 -0.04 -0.08 0.16 -0.04 1.64 1.64 3hl7A1 LEU 166 HB3 0.05 0.05 0.01 -0.04 1.64 1.72 3hl7A1 LEU 166 HG 0.04 0.16 0.07 -0.04 1.64 1.87 3hl7A1 LEU 166 HD13 -0.03 0.00 -0.08 -0.04 0.93 0.78 3hl7A1 LEU 166 HD23 0.02 0.01 -0.11 -0.04 0.89 0.76 3hl7A1 ASP 167 H -0.31 0.22 0.15 -0.55 8.40 7.91 3hl7A1 ASP 167 HA -0.32 0.07 0.31 -0.75 4.63 3.93 3hl7A1 ASP 167 HB2 0.01 0.20 -0.25 -0.04 2.71 2.63 3hl7A1 ASP 167 HB3 -0.12 -0.05 0.15 -0.04 2.70 2.64 3hl7A1 PHE 168 H -0.60 0.04 -0.43 -0.55 8.34 6.80 3hl7A1 PHE 168 HA -1.23 -0.02 0.52 -0.75 4.62 3.13 3hl7A1 PHE 168 HB2 -0.12 0.02 -0.11 -0.04 3.15 2.90 3hl7A1 PHE 168 HB3 -0.05 -0.03 -0.05 -0.04 3.06 2.88 3hl7A1 PHE 168 HD2 -0.03 -0.01 -0.31 -0.04 7.28 6.89 3hl7A1 PHE 168 HE2 -0.02 0.10 -0.01 -0.04 7.38 7.41 3hl7A1 PHE 168 HZ 0.01 0.27 -0.01 -0.04 7.32 7.55 3hl7A1 GLY 169 H -0.10 0.26 0.33 -0.55 8.43 8.37 3hl7A1 GLY 169 HA2 0.04 0.14 0.35 -0.51 4.01 4.04 3hl7A1 GLY 169 HA3 0.06 0.07 0.16 -0.51 4.01 3.79 3hl7A1 LEU 170 H -0.14 0.14 -0.42 -0.55 8.37 7.40 3hl7A1 LEU 170 HA 0.01 0.14 0.41 -0.75 4.35 4.16 3hl7A1 LEU 170 HB2 -0.11 -0.01 0.01 -0.04 1.64 1.49 3hl7A1 LEU 170 HB3 0.08 -0.04 -0.05 -0.04 1.64 1.58 3hl7A1 LEU 170 HG -0.24 0.17 -0.31 -0.04 1.64 1.22 3hl7A1 LEU 170 HD13 -0.21 -0.02 -0.02 -0.04 0.93 0.64 3hl7A1 LEU 170 HD23 -0.05 0.01 -0.14 -0.04 0.89 0.67 3hl7A1 ALA 171 H -0.03 0.11 -0.03 -0.55 8.40 7.90 3hl7A1 ALA 171 HA 0.01 0.02 0.11 -0.75 4.34 3.73 3hl7A1 ALA 171 HB3 0.03 0.07 -0.33 -0.04 1.41 1.13 3hl7A1 ALA 183 HA -0.41 -0.02 0.20 -0.75 4.34 3.36 3hl7A1 ALA 183 HB3 -0.54 -0.03 0.03 -0.04 1.41 0.83 3hl7A1 THR 184 H -0.16 0.14 0.18 -0.55 8.28 7.90 3hl7A1 THR 184 HA 0.05 0.13 0.61 -0.75 4.39 4.43 3hl7A1 ARG 185 H -0.11 0.05 -0.10 -0.55 8.46 7.74 3hl7A1 ARG 185 HA -0.02 0.05 0.28 -0.75 4.34 3.90 3hl7A1 TRP 186 H -0.05 0.25 -0.52 -0.55 7.97 7.11 3hl7A1 TRP 186 HA -0.07 0.12 0.24 -0.75 4.62 4.16 3hl7A1 TRP 186 HB2 -0.58 0.08 -0.00 -0.04 3.23 2.69 3hl7A1 TRP 186 HB3 -0.52 -0.09 -0.05 -0.04 3.23 2.54 3hl7A1 TRP 186 HD1 -0.03 -0.11 0.00 -0.04 7.22 7.04 3hl7A1 TRP 186 HE1 0.00 0.26 -0.14 -0.04 10.20 10.28 3hl7A1 TRP 186 HE3 0.01 -0.06 -0.03 -0.04 7.59 7.46 3hl7A1 TRP 186 HZ2 0.01 -0.02 -0.05 -0.04 7.44 7.34 3hl7A1 TRP 186 HZ3 0.07 -0.05 -0.02 -0.04 7.13 7.09 3hl7A1 TRP 186 HH2 0.03 -0.04 -0.02 -0.04 7.19 7.12 3hl7A1 TYR 187 H 0.24 0.34 -0.43 -0.55 8.29 7.88 3hl7A1 TYR 187 HA 0.31 0.10 0.64 -0.75 4.56 4.87 3hl7A1 TYR 187 HB2 0.12 0.12 0.04 -0.04 3.06 3.29 3hl7A1 TYR 187 HB3 0.14 -0.02 0.17 -0.04 2.98 3.23 3hl7A1 TYR 187 HD2 0.12 0.06 -0.05 -0.04 7.15 7.24 3hl7A1 TYR 187 HE2 0.16 0.06 -0.08 -0.04 6.85 6.95 3hl7A1 ARG 188 H 0.19 0.48 -0.20 -0.55 8.46 8.38 3hl7A1 ARG 188 HA 0.14 0.02 0.44 -0.75 4.34 4.18 3hl7A1 ARG 188 HB2 0.05 0.03 -0.02 -0.04 1.90 1.92 3hl7A1 ARG 188 HB3 -0.04 0.05 0.03 -0.04 1.80 1.80 3hl7A1 ARG 188 HG2 -0.10 -0.03 -0.12 -0.04 1.67 1.38 3hl7A1 ARG 188 HG3 -0.03 -0.06 0.05 -0.04 1.67 1.58 3hl7A1 ARG 188 HD2 -0.04 -0.05 -0.12 -0.04 3.22 2.96 3hl7A1 ARG 188 HD3 -0.07 -0.02 -0.10 -0.04 3.22 2.99 3hl7A1 ALA 189 H -0.04 0.07 0.19 -0.55 8.40 8.07 3hl7A1 ALA 189 HA -1.41 0.22 0.39 -0.75 4.34 2.78 3hl7A1 ALA 189 HB3 -0.15 0.00 0.21 -0.04 1.41 1.44 3hl7A1 PRO 190 HA -0.33 0.11 0.38 -0.51 4.44 4.10 3hl7A1 PRO 190 HB2 -0.29 0.02 0.00 -0.04 2.28 1.97 3hl7A1 PRO 190 HB3 -0.43 0.10 0.11 -0.04 2.02 1.76 3hl7A1 PRO 190 HG2 -0.51 0.01 0.12 -0.04 2.03 1.61 3hl7A1 PRO 190 HG3 -0.85 0.13 0.05 -0.04 2.03 1.32 3hl7A1 PRO 190 HD2 -1.46 0.07 0.24 -0.04 3.68 2.49 3hl7A1 PRO 190 HD3 -2.60 0.25 0.18 -0.04 3.65 1.43 3hl7A1 GLU 191 H -0.22 0.16 -0.18 -0.55 8.60 7.82 3hl7A1 GLU 191 HA -0.02 0.11 0.45 -0.75 4.29 4.08 3hl7A1 GLU 191 HB2 0.44 -0.00 0.06 -0.04 2.09 2.55 3hl7A1 GLU 191 HB3 0.05 0.06 0.10 -0.04 1.99 2.15 3hl7A1 GLU 191 HG2 0.13 0.01 -0.08 -0.04 2.34 2.35 3hl7A1 GLU 191 HG3 0.49 -0.03 -0.01 -0.04 2.34 2.75 3hl7A1 ILE 192 H -0.10 0.23 -0.28 -0.55 8.25 7.55 3hl7A1 ILE 192 HA -0.02 0.13 0.68 -0.75 4.18 4.22 3hl7A1 ILE 192 HB -0.14 0.17 0.06 -0.04 1.89 1.94 3hl7A1 ILE 192 HG12 -0.43 0.07 0.02 -0.04 1.49 1.12 3hl7A1 ILE 192 HG13 -0.17 -0.15 0.03 -0.04 1.21 0.88 3hl7A1 ILE 192 HG23 -0.11 0.02 -0.09 -0.04 0.93 0.70 3hl7A1 ILE 192 HD13 -0.24 -0.02 0.05 -0.04 0.88 0.63 3hl7A1 MET 193 H -0.15 0.35 -0.13 -0.55 8.47 8.00 3hl7A1 MET 193 HA -0.19 0.03 0.50 -0.75 4.52 4.11 3hl7A1 MET 193 HB2 -0.15 0.14 0.15 -0.04 2.15 2.25 3hl7A1 MET 193 HB3 -0.13 -0.01 0.05 -0.04 2.03 1.89 3hl7A1 MET 193 HG2 -0.21 0.10 -0.11 -0.04 2.63 2.37 3hl7A1 MET 193 HG3 -0.18 0.01 -0.08 -0.04 2.56 2.27 3hl7A1 MET 193 HE3 -0.34 -0.01 -0.11 -0.04 2.10 1.61 3hl7A1 LEU 194 H -0.03 0.31 -0.32 -0.55 8.37 7.78 3hl7A1 LEU 194 HA -0.01 0.10 0.59 -0.75 4.35 4.28 3hl7A1 LEU 194 HB2 -0.01 0.02 0.11 -0.04 1.64 1.73 3hl7A1 LEU 194 HB3 0.00 -0.09 0.05 -0.04 1.64 1.57 3hl7A1 LEU 194 HG -0.04 0.06 -0.02 -0.04 1.64 1.59 3hl7A1 LEU 194 HD13 -0.08 -0.02 -0.05 -0.04 0.93 0.74 3hl7A1 LEU 194 HD23 0.00 -0.01 0.03 -0.04 0.89 0.87 3hl7A1 ASN 195 H 0.06 0.24 -0.60 -0.55 8.53 7.69 3hl7A1 ASN 195 HA 0.07 0.11 0.24 -0.75 4.76 4.43 3hl7A1 ASN 195 HB2 0.05 0.01 -0.41 -0.04 2.88 2.49 3hl7A1 ASN 195 HB3 0.05 0.02 0.14 -0.04 2.79 2.96 3hl7A1 ASN 195 HD21 0.01 -0.02 0.02 -0.04 7.03 7.00 3hl7A1 ASN 195 HD22 0.02 -0.04 0.04 -0.04 7.74 7.73 3hl7A1 TRP 196 H 0.28 0.45 -0.02 -0.55 7.97 8.12 3hl7A1 TRP 196 HA 0.02 0.03 0.59 -0.75 4.62 4.50 3hl7A1 TRP 196 HB2 0.03 0.05 0.09 -0.04 3.23 3.36 3hl7A1 TRP 196 HB3 0.07 -0.03 0.06 -0.04 3.23 3.29 3hl7A1 TRP 196 HD1 0.08 0.02 0.11 -0.04 7.22 7.39 3hl7A1 TRP 196 HE1 0.22 0.07 0.04 -0.04 10.20 10.48 3hl7A1 TRP 196 HE3 0.08 -0.07 -0.09 -0.04 7.59 7.47 3hl7A1 TRP 196 HZ2 0.04 0.05 -0.01 -0.04 7.44 7.48 3hl7A1 TRP 196 HZ3 0.06 -0.11 -0.05 -0.04 7.13 6.99 3hl7A1 TRP 196 HH2 0.03 0.00 -0.04 -0.04 7.19 7.14 3hl7A1 MET 197 H -0.08 0.15 0.21 -0.55 8.47 8.20 3hl7A1 MET 197 HA -0.07 0.18 0.60 -0.75 4.52 4.49 3hl7A1 MET 197 HB2 -0.21 0.04 0.14 -0.04 2.15 2.08 3hl7A1 MET 197 HB3 -0.15 0.05 0.12 -0.04 2.03 2.01 3hl7A1 MET 197 HG2 -0.78 -0.07 0.03 -0.04 2.63 1.77 3hl7A1 MET 197 HG3 -0.89 0.03 -0.17 -0.04 2.56 1.50 3hl7A1 MET 197 HE3 -0.03 -0.00 0.05 -0.04 2.10 2.08 3hl7A1 HIS 198 H -1.54 -0.00 -0.25 -0.55 8.41 6.08 3hl7A1 HIS 198 HA -0.72 0.31 0.85 -0.75 4.63 4.31 3hl7A1 HIS 198 HB2 -1.35 -0.05 0.06 -0.04 3.26 1.88 3hl7A1 HIS 198 HB3 -0.58 0.04 0.17 -0.04 3.20 2.78 3hl7A1 HIS 198 HD2 -0.24 0.08 -0.04 -0.04 6.97 6.72 3hl7A1 HIS 198 HE1 0.04 -0.00 0.01 -0.04 7.75 7.74 3hl7A1 TYR 199 H -0.59 0.18 -0.41 -0.55 8.29 6.92 3hl7A1 TYR 199 HA -0.34 -0.03 0.41 -0.75 4.56 3.84 3hl7A1 TYR 199 HB2 0.00 -0.09 0.07 -0.04 3.06 3.00 3hl7A1 TYR 199 HB3 0.00 0.02 -0.01 -0.04 2.98 2.95 3hl7A1 TYR 199 HD2 -0.12 0.16 -0.19 -0.04 7.15 6.96 3hl7A1 TYR 199 HE2 -0.08 -0.00 -0.08 -0.04 6.85 6.65 3hl7A1 ASN 200 H 0.15 0.00 0.15 -0.55 8.53 8.29 3hl7A1 ASN 200 HA -0.10 0.34 0.84 -0.75 4.76 5.08 3hl7A1 ASN 200 HB2 -0.01 -0.05 0.19 -0.04 2.88 2.96 3hl7A1 ASN 200 HB3 -0.02 0.17 -0.00 -0.04 2.79 2.90 3hl7A1 ASN 200 HD21 0.16 0.03 -0.22 -0.04 7.03 6.96 3hl7A1 ASN 200 HD22 0.13 0.10 -0.05 -0.04 7.74 7.88 3hl7A1 GLN 201 H -0.08 0.27 0.15 -0.55 8.47 8.27 3hl7A1 GLN 201 HA -0.12 0.07 0.50 -0.75 4.36 4.06 3hl7A1 GLN 201 HB2 -0.24 0.03 0.15 -0.04 2.15 2.04 3hl7A1 GLN 201 HB3 -1.03 -0.02 0.10 -0.04 2.02 1.03 3hl7A1 GLN 201 HG2 -0.40 0.06 0.01 -0.04 2.40 2.03 3hl7A1 GLN 201 HG3 -0.17 -0.01 0.03 -0.04 2.39 2.21 3hl7A1 GLN 201 HE21 -0.02 0.37 0.19 -0.04 6.97 7.47 3hl7A1 GLN 201 HE22 -0.05 -0.04 -0.14 -0.04 7.69 7.41 3hl7A1 THR 202 H 0.05 0.12 -0.36 -0.55 8.28 7.54 3hl7A1 THR 202 HA 0.13 0.05 0.35 -0.75 4.39 4.16 3hl7A1 THR 202 HB 0.15 0.11 0.13 -0.04 4.32 4.67 3hl7A1 THR 202 HG23 0.08 0.04 0.01 -0.04 1.22 1.31 3hl7A1 VAL 203 H 0.14 0.46 -0.35 -0.55 8.24 7.94 3hl7A1 VAL 203 HA 0.16 0.05 0.63 -0.75 4.13 4.21 3hl7A1 VAL 203 HB 0.02 -0.04 0.11 -0.04 2.12 2.17 3hl7A1 VAL 203 HG13 0.06 0.02 0.08 -0.04 0.97 1.09 3hl7A1 VAL 203 HG23 0.09 0.05 -0.03 -0.04 0.95 1.02 3hl7A1 ASP 204 H 0.17 0.51 -0.10 -0.55 8.40 8.43 3hl7A1 ASP 204 HA 0.16 0.04 0.51 -0.75 4.63 4.59 3hl7A1 ASP 204 HB2 0.38 0.21 0.20 -0.04 2.71 3.45 3hl7A1 ASP 204 HB3 0.17 0.02 0.06 -0.04 2.70 2.90 3hl7A1 ILE 205 H 0.21 0.13 -0.14 -0.55 8.25 7.90 3hl7A1 ILE 205 HA 0.11 0.01 0.50 -0.75 4.18 4.04 3hl7A1 ILE 205 HB 0.17 0.16 0.19 -0.04 1.89 2.37 3hl7A1 ILE 205 HG12 0.21 -0.12 0.06 -0.04 1.49 1.59 3hl7A1 ILE 205 HG13 0.13 0.24 0.08 -0.04 1.21 1.62 3hl7A1 ILE 205 HG23 0.09 0.08 -0.04 -0.04 0.93 1.01 3hl7A1 ILE 205 HD13 0.09 -0.03 -0.14 -0.04 0.88 0.75 3hl7A1 TRP 206 H 0.36 0.39 -0.13 -0.55 7.97 8.04 3hl7A1 TRP 206 HA 0.11 0.14 0.40 -0.75 4.62 4.52 3hl7A1 TRP 206 HB2 0.09 0.02 0.18 -0.04 3.23 3.47 3hl7A1 TRP 206 HB3 0.09 0.11 0.19 -0.04 3.23 3.57 3hl7A1 TRP 206 HD1 0.12 0.21 -0.60 -0.04 7.22 6.92 3hl7A1 TRP 206 HE1 0.12 0.10 -0.22 -0.04 10.20 10.15 3hl7A1 TRP 206 HE3 0.09 0.12 0.01 -0.04 7.59 7.77 3hl7A1 TRP 206 HZ2 -0.33 0.01 -0.03 -0.04 7.44 7.05 3hl7A1 TRP 206 HZ3 0.09 0.03 -0.62 -0.04 7.13 6.59 3hl7A1 TRP 206 HH2 0.03 0.04 -0.10 -0.04 7.19 7.11 3hl7A1 SER 207 H 0.32 0.29 -0.21 -0.55 8.46 8.31 3hl7A1 SER 207 HA 0.31 0.15 0.45 -0.75 4.49 4.65 3hl7A1 SER 207 HB2 0.11 0.00 0.15 -0.04 3.95 4.18 3hl7A1 SER 207 HB3 0.13 0.07 0.04 -0.04 3.93 4.13 3hl7A1 VAL 208 H 0.07 0.46 -0.18 -0.55 8.24 8.05 3hl7A1 VAL 208 HA 0.00 -0.02 0.41 -0.75 4.13 3.76 3hl7A1 VAL 208 HB 0.02 0.15 0.12 -0.04 2.12 2.37 3hl7A1 VAL 208 HG13 0.01 -0.02 -0.12 -0.04 0.97 0.80 3hl7A1 VAL 208 HG23 -0.01 0.06 -0.01 -0.04 0.95 0.95 3hl7A1 GLY 209 H -0.05 0.59 -0.23 -0.55 8.43 8.18 3hl7A1 GLY 209 HA2 -0.11 -0.04 0.43 -0.51 4.01 3.77 3hl7A1 GLY 209 HA3 -0.20 0.11 0.26 -0.51 4.01 3.67 3hl7A1 CYS 210 H -0.12 0.55 -0.12 -0.55 8.50 8.27 3hl7A1 CYS 210 HA -0.11 0.01 0.45 -0.75 4.58 4.18 3hl7A1 CYS 210 HB2 0.28 0.14 0.17 -0.04 2.97 3.52 3hl7A1 CYS 210 HB3 0.17 -0.09 0.02 -0.04 2.97 3.03 3hl7A1 ILE 211 H 0.08 0.53 -0.22 -0.55 8.25 8.09 3hl7A1 ILE 211 HA 0.13 -0.00 0.40 -0.75 4.18 3.95 3hl7A1 ILE 211 HB 0.00 0.11 0.16 -0.04 1.89 2.12 3hl7A1 ILE 211 HG12 -0.19 -0.11 -0.07 -0.04 1.49 1.07 3hl7A1 ILE 211 HG13 0.02 0.13 -0.01 -0.04 1.21 1.30 3hl7A1 ILE 211 HG23 -0.02 -0.02 -0.20 -0.04 0.93 0.64 3hl7A1 ILE 211 HD13 -0.11 -0.03 -0.35 -0.04 0.88 0.35 3hl7A1 MET 212 H -0.01 0.81 -0.00 -0.55 8.47 8.72 3hl7A1 MET 212 HA 0.01 -0.03 0.42 -0.75 4.52 4.17 3hl7A1 MET 212 HB2 0.01 -0.01 0.09 -0.04 2.15 2.19 3hl7A1 MET 212 HB3 -0.08 0.11 0.16 -0.04 2.03 2.18 3hl7A1 MET 212 HG2 -0.16 0.02 -0.25 -0.04 2.63 2.20 3hl7A1 MET 212 HG3 -0.01 -0.07 -0.04 -0.04 2.56 2.41 3hl7A1 MET 212 HE3 -0.52 0.01 -0.01 -0.04 2.10 1.54 3hl7A1 ALA 213 H -0.11 0.67 -0.16 -0.55 8.40 8.26 3hl7A1 ALA 213 HA -0.19 -0.02 0.41 -0.75 4.34 3.78 3hl7A1 ALA 213 HB3 -0.07 0.04 0.11 -0.04 1.41 1.45 3hl7A1 GLU 214 H 0.00 0.43 -0.26 -0.55 8.60 8.23 3hl7A1 GLU 214 HA 0.00 0.14 0.35 -0.75 4.29 4.02 3hl7A1 GLU 214 HB2 0.07 -0.01 0.11 -0.04 2.09 2.22 3hl7A1 GLU 214 HB3 0.09 0.12 0.12 -0.04 1.99 2.27 3hl7A1 GLU 214 HG2 0.07 0.01 -0.28 -0.04 2.34 2.09 3hl7A1 GLU 214 HG3 0.03 -0.05 -0.44 -0.04 2.34 1.84 3hl7A1 LEU 215 H 0.02 0.51 -0.13 -0.55 8.37 8.23 3hl7A1 LEU 215 HA 0.03 0.03 0.49 -0.75 4.35 4.14 3hl7A1 LEU 215 HB2 0.03 0.11 0.14 -0.04 1.64 1.88 3hl7A1 LEU 215 HB3 0.05 -0.09 0.00 -0.04 1.64 1.56 3hl7A1 LEU 215 HG 0.02 0.24 -0.06 -0.04 1.64 1.81 3hl7A1 LEU 215 HD13 0.04 -0.03 -0.07 -0.04 0.93 0.83 3hl7A1 LEU 215 HD23 0.02 -0.02 -0.03 -0.04 0.89 0.82 3hl7A1 LEU 216 H 0.00 0.46 -0.24 -0.55 8.37 8.05 3hl7A1 LEU 216 HA 0.03 0.06 0.55 -0.75 4.35 4.24 3hl7A1 LEU 216 HB2 -0.02 0.15 0.14 -0.04 1.64 1.87 3hl7A1 LEU 216 HB3 0.01 -0.05 -0.01 -0.04 1.64 1.55 3hl7A1 LEU 216 HG 0.00 0.05 -0.01 -0.04 1.64 1.65 3hl7A1 LEU 216 HD13 -0.16 -0.03 -0.09 -0.04 0.93 0.61 3hl7A1 LEU 216 HD23 0.06 -0.03 -0.00 -0.04 0.89 0.87 3hl7A1 THR 217 H 0.02 0.42 0.02 -0.55 8.28 8.19 3hl7A1 THR 217 HA 0.02 0.16 0.74 -0.75 4.39 4.55 3hl7A1 THR 217 HB -0.02 -0.01 0.06 -0.04 4.32 4.31 3hl7A1 THR 217 HG23 0.13 0.04 -0.01 -0.04 1.22 1.34 3hl7A1 GLY 218 H 0.01 0.44 -0.05 -0.55 8.43 8.28 3hl7A1 GLY 218 HA2 0.01 0.07 0.32 -0.51 4.01 3.90 3hl7A1 GLY 218 HA3 -0.00 0.05 0.61 -0.51 4.01 4.16 3hl7A1 ARG 219 H -0.03 0.14 -0.15 -0.55 8.46 7.87 3hl7A1 ARG 219 HA -0.05 0.12 0.72 -0.75 4.34 4.37 3hl7A1 ARG 219 HB2 -0.12 0.07 -0.05 -0.04 1.90 1.76 3hl7A1 ARG 219 HB3 -0.07 0.05 -0.05 -0.04 1.80 1.69 3hl7A1 ARG 219 HG2 -0.06 0.08 -0.28 -0.04 1.67 1.36 3hl7A1 ARG 219 HG3 -0.10 -0.02 -0.16 -0.04 1.67 1.35 3hl7A1 ARG 219 HD2 -0.10 0.00 -0.06 -0.04 3.22 3.01 3hl7A1 ARG 219 HD3 -0.11 0.02 -0.07 -0.04 3.22 3.01 3hl7A1 THR 220 H -0.14 0.12 0.05 -0.55 8.28 7.76 3hl7A1 THR 220 HA -0.11 -0.00 0.44 -0.75 4.39 3.96 3hl7A1 THR 220 HB -0.54 0.03 0.02 -0.04 4.32 3.79 3hl7A1 THR 220 HG23 -0.83 -0.03 -0.23 -0.04 1.22 0.09 3hl7A1 LEU 221 H -0.20 0.11 0.16 -0.55 8.37 7.89 3hl7A1 LEU 221 HA -0.34 0.12 0.39 -0.75 4.35 3.76 3hl7A1 LEU 221 HB2 -0.26 0.02 0.13 -0.04 1.64 1.49 3hl7A1 LEU 221 HB3 -0.45 -0.04 0.17 -0.04 1.64 1.28 3hl7A1 LEU 221 HG -2.15 0.02 -0.20 -0.04 1.64 -0.73 3hl7A1 LEU 221 HD13 -0.37 0.00 0.01 -0.04 0.93 0.53 3hl7A1 LEU 221 HD23 -0.38 -0.01 -0.03 -0.04 0.89 0.43 3hl7A1 PHE 222 H -0.24 0.07 -0.15 -0.55 8.34 7.47 3hl7A1 PHE 222 HA -0.13 0.24 0.76 -0.75 4.62 4.73 3hl7A1 PHE 222 HB2 0.01 0.16 0.21 -0.04 3.15 3.49 3hl7A1 PHE 222 HB3 0.01 -0.04 0.07 -0.04 3.06 3.05 3hl7A1 PHE 222 HD2 0.08 0.06 -0.14 -0.04 7.28 7.24 3hl7A1 PHE 222 HE2 -0.05 0.03 -0.04 -0.04 7.38 7.27 3hl7A1 PHE 222 HZ 0.07 0.00 -0.01 -0.04 7.32 7.33 3hl7A1 PRO 223 HA -1.88 0.10 0.48 -0.51 4.44 2.62 3hl7A1 PRO 223 HB2 -0.58 0.01 0.12 -0.04 2.28 1.79 3hl7A1 PRO 223 HB3 -1.03 -0.02 0.01 -0.04 2.02 0.94 3hl7A1 PRO 223 HG2 -0.23 -0.02 -0.00 -0.04 2.03 1.73 3hl7A1 PRO 223 HG3 -0.31 0.09 -0.02 -0.04 2.03 1.74 3hl7A1 PRO 223 HD2 -0.16 0.14 -0.06 -0.04 3.68 3.56 3hl7A1 PRO 223 HD3 -0.32 0.32 -0.59 -0.04 3.65 3.01 3hl7A1 GLY 224 H 0.04 0.43 -0.09 -0.55 8.43 8.26 3hl7A1 GLY 224 HA2 0.06 0.03 0.18 -0.51 4.01 3.77 3hl7A1 GLY 224 HA3 0.13 -0.01 0.14 -0.51 4.01 3.76 3hl7A1 THR 225 H 0.09 0.08 0.12 -0.55 8.28 8.02 3hl7A1 THR 225 HA 0.18 0.22 0.62 -0.75 4.39 4.65 3hl7A1 THR 225 HB 0.08 0.01 0.14 -0.04 4.32 4.51 3hl7A1 THR 225 HG23 0.07 0.04 0.03 -0.04 1.22 1.31 3hl7A1 ASP 226 H 0.11 0.13 -0.08 -0.55 8.40 8.00 3hl7A1 ASP 226 HA 0.11 0.18 0.23 -0.75 4.63 4.40 3hl7A1 ASP 226 HB2 0.06 -0.08 0.21 -0.04 2.71 2.86 3hl7A1 ASP 226 HB3 0.06 0.31 0.22 -0.04 2.70 3.25 3hl7A1 HIS 227 H 0.21 0.22 0.13 -0.55 8.41 8.43 3hl7A1 HIS 227 HA -0.00 0.12 0.43 -0.75 4.63 4.42 3hl7A1 HIS 227 HB2 -0.04 -0.05 0.16 -0.04 3.26 3.29 3hl7A1 HIS 227 HB3 -0.06 0.14 0.00 -0.04 3.20 3.24 3hl7A1 HIS 227 HD2 -0.01 -0.09 0.01 -0.04 6.97 6.84 3hl7A1 HIS 227 HE1 -0.03 0.07 0.01 -0.04 7.75 7.76 3hl7A1 ILE 228 H 0.05 0.06 -0.12 -0.55 8.25 7.70 3hl7A1 ILE 228 HA -0.05 0.17 0.45 -0.75 4.18 3.99 3hl7A1 ILE 228 HB 0.02 -0.09 0.09 -0.04 1.89 1.87 3hl7A1 ILE 228 HG12 -0.05 0.02 0.01 -0.04 1.49 1.43 3hl7A1 ILE 228 HG13 -0.13 0.08 -0.00 -0.04 1.21 1.11 3hl7A1 ILE 228 HG23 0.10 0.03 -0.18 -0.04 0.93 0.84 3hl7A1 ILE 228 HD13 -0.18 -0.00 -0.07 -0.04 0.88 0.58 3hl7A1 ASP 229 H 0.05 0.04 -0.13 -0.55 8.40 7.81 3hl7A1 ASP 229 HA 0.05 0.12 0.40 -0.75 4.63 4.45 3hl7A1 ASP 229 HB2 0.05 0.06 0.07 -0.04 2.71 2.85 3hl7A1 ASP 229 HB3 0.07 -0.20 0.10 -0.04 2.70 2.63 3hl7A1 GLN 230 H 0.05 0.48 -0.33 -0.55 8.47 8.12 3hl7A1 GLN 230 HA 0.05 0.00 0.33 -0.75 4.36 3.98 3hl7A1 GLN 230 HB2 0.05 0.02 0.03 -0.04 2.15 2.21 3hl7A1 GLN 230 HB3 -0.05 0.09 0.09 -0.04 2.02 2.11 3hl7A1 GLN 230 HG2 -0.03 0.04 -0.09 -0.04 2.40 2.28 3hl7A1 GLN 230 HG3 -0.04 -0.01 -0.19 -0.04 2.39 2.11 3hl7A1 GLN 230 HE21 0.24 0.37 0.21 -0.04 6.97 7.74 3hl7A1 GLN 230 HE22 0.13 -0.01 0.00 -0.04 7.69 7.76 3hl7A1 LEU 231 H -0.02 0.42 -0.14 -0.55 8.37 8.08 3hl7A1 LEU 231 HA -0.10 0.03 0.51 -0.75 4.35 4.03 3hl7A1 LEU 231 HB2 -0.02 0.14 0.17 -0.04 1.64 1.89 3hl7A1 LEU 231 HB3 0.07 0.03 -0.01 -0.04 1.64 1.69 3hl7A1 LEU 231 HG 0.01 0.00 -0.02 -0.04 1.64 1.59 3hl7A1 LEU 231 HD13 -0.06 -0.01 0.03 -0.04 0.93 0.84 3hl7A1 LEU 231 HD23 -0.12 0.02 0.02 -0.04 0.89 0.77 3hl7A1 LYS 232 H 0.05 0.48 -0.13 -0.55 8.42 8.27 3hl7A1 LYS 232 HA 0.04 0.03 0.37 -0.75 4.32 4.00 3hl7A1 LYS 232 HB2 0.05 0.04 0.16 -0.04 1.87 2.08 3hl7A1 LYS 232 HB3 0.04 -0.00 -0.03 -0.04 1.79 1.75 3hl7A1 LYS 232 HG2 0.05 0.02 0.00 -0.04 1.46 1.49 3hl7A1 LYS 232 HG3 0.13 0.04 0.00 -0.04 1.46 1.58 3hl7A1 LYS 232 HD2 0.07 -0.10 -0.16 -0.04 1.69 1.46 3hl7A1 LYS 232 HD3 0.05 0.01 -0.05 -0.04 1.68 1.65 3hl7A1 LYS 232 HE2 0.09 0.05 -0.05 -0.04 2.99 3.03 3hl7A1 LYS 232 HE3 0.20 -0.04 -0.11 -0.04 2.99 3.00 3hl7A1 LEU 233 H 0.02 0.50 -0.22 -0.55 8.37 8.12 3hl7A1 LEU 233 HA 0.07 0.03 0.34 -0.75 4.35 4.03 3hl7A1 LEU 233 HB2 0.07 0.10 0.10 -0.04 1.64 1.87 3hl7A1 LEU 233 HB3 0.24 0.03 -0.01 -0.04 1.64 1.86 3hl7A1 LEU 233 HG 0.04 0.11 -0.01 -0.04 1.64 1.74 3hl7A1 LEU 233 HD13 0.02 -0.01 -0.32 -0.04 0.93 0.58 3hl7A1 LEU 233 HD23 0.03 0.00 -0.05 -0.04 0.89 0.82 3hl7A1 ILE 234 H -0.17 0.44 -0.15 -0.55 8.25 7.83 3hl7A1 ILE 234 HA -0.92 0.02 0.41 -0.75 4.18 2.93 3hl7A1 ILE 234 HB -0.22 0.05 0.22 -0.04 1.89 1.90 3hl7A1 ILE 234 HG12 -0.94 -0.03 0.02 -0.04 1.49 0.50 3hl7A1 ILE 234 HG13 -0.60 0.09 0.10 -0.04 1.21 0.77 3hl7A1 ILE 234 HG23 -0.06 -0.02 -0.12 -0.04 0.93 0.69 3hl7A1 ILE 234 HD13 -0.23 -0.03 -0.08 -0.04 0.88 0.51 3hl7A1 LEU 235 H -0.04 0.71 -0.06 -0.55 8.37 8.43 3hl7A1 LEU 235 HA 0.04 0.08 0.23 -0.75 4.35 3.94 3hl7A1 LEU 235 HB2 0.00 0.12 0.05 -0.04 1.64 1.77 3hl7A1 LEU 235 HB3 0.01 -0.04 -0.17 -0.04 1.64 1.40 3hl7A1 LEU 235 HG -0.00 -0.01 -0.03 -0.04 1.64 1.56 3hl7A1 LEU 235 HD13 -0.03 -0.00 -0.05 -0.04 0.93 0.81 3hl7A1 LEU 235 HD23 0.01 -0.01 -0.07 -0.04 0.89 0.78 3hl7A1 ARG 236 H 0.04 0.38 -0.48 -0.55 8.46 7.85 3hl7A1 ARG 236 HA 0.04 0.01 0.44 -0.75 4.34 4.08 3hl7A1 ARG 236 HB2 0.04 0.07 0.11 -0.04 1.90 2.07 3hl7A1 ARG 236 HB3 0.07 0.16 0.11 -0.04 1.80 2.11 3hl7A1 ARG 236 HG2 0.01 -0.01 -0.08 -0.04 1.67 1.56 3hl7A1 ARG 236 HG3 0.01 -0.04 0.04 -0.04 1.67 1.64 3hl7A1 ARG 236 HD2 0.01 0.03 -0.02 -0.04 3.22 3.21 3hl7A1 ARG 236 HD3 -0.00 -0.06 -0.02 -0.04 3.22 3.10 3hl7A1 LEU 237 H 0.17 0.38 -0.11 -0.55 8.37 8.27 3hl7A1 LEU 237 HA 0.05 0.05 0.72 -0.75 4.35 4.41 3hl7A1 LEU 237 HB2 0.19 0.02 0.10 -0.04 1.64 1.91 3hl7A1 LEU 237 HB3 0.39 0.10 0.19 -0.04 1.64 2.27 3hl7A1 LEU 237 HG 0.07 -0.00 -0.25 -0.04 1.64 1.42 3hl7A1 LEU 237 HD13 -0.42 -0.03 -0.00 -0.04 0.93 0.44 3hl7A1 LEU 237 HD23 -0.07 -0.01 -0.04 -0.04 0.89 0.73 3hl7A1 VAL 238 H 0.19 0.53 0.08 -0.55 8.24 8.50 3hl7A1 VAL 238 HA 0.31 0.06 0.51 -0.75 4.13 4.25 3hl7A1 VAL 238 HB 0.27 -0.12 0.16 -0.04 2.12 2.40 3hl7A1 VAL 238 HG13 0.50 0.00 0.00 -0.04 0.97 1.43 3hl7A1 VAL 238 HG23 0.20 0.09 -0.16 -0.04 0.95 1.04 3hl7A1 GLY 239 H 0.10 0.38 -0.35 -0.55 8.43 8.01 3hl7A1 GLY 239 HA2 0.05 0.11 -0.12 -0.51 4.01 3.54 3hl7A1 GLY 239 HA3 0.06 -0.03 0.42 -0.51 4.01 3.95 3hl7A1 THR 240 H 0.02 0.28 0.24 -0.55 8.28 8.27 3hl7A1 THR 240 HA -0.00 0.08 0.65 -0.75 4.39 4.36 3hl7A1 THR 240 HB -0.02 0.09 0.05 -0.04 4.32 4.40 3hl7A1 THR 240 HG23 -0.02 0.03 -0.02 -0.04 1.22 1.17 3hl7A1 PRO 241 HA -0.01 -0.04 0.32 -0.51 4.44 4.20 3hl7A1 PRO 241 HB2 -0.04 0.04 -0.04 -0.04 2.28 2.21 3hl7A1 PRO 241 HB3 -0.04 -0.09 -0.01 -0.04 2.02 1.83 3hl7A1 PRO 241 HG2 -0.04 0.02 0.00 -0.04 2.03 1.97 3hl7A1 PRO 241 HG3 -0.04 0.01 0.02 -0.04 2.03 1.98 3hl7A1 PRO 241 HD2 -0.03 0.15 0.11 -0.04 3.68 3.87 3hl7A1 PRO 241 HD3 -0.02 0.14 0.20 -0.04 3.65 3.93 3hl7A1 GLY 242 H -0.01 0.01 0.17 -0.55 8.43 8.06 3hl7A1 GLY 242 HA2 -0.01 0.25 0.66 -0.51 4.01 4.40 3hl7A1 GLY 242 HA3 -0.00 -0.02 0.40 -0.51 4.01 3.87 3hl7A1 ALA 243 H -0.01 0.19 0.16 -0.55 8.40 8.19 3hl7A1 ALA 243 HA -0.02 0.15 0.38 -0.75 4.34 4.09 3hl7A1 ALA 243 HB3 -0.01 0.03 0.09 -0.04 1.41 1.48 3hl7A1 GLU 244 H -0.01 0.07 -0.09 -0.55 8.60 8.03 3hl7A1 GLU 244 HA -0.01 0.13 0.38 -0.75 4.29 4.02 3hl7A1 GLU 244 HB2 -0.01 0.02 0.08 -0.04 2.09 2.15 3hl7A1 GLU 244 HB3 -0.01 -0.05 0.03 -0.04 1.99 1.92 3hl7A1 GLU 244 HG2 -0.01 0.00 -0.19 -0.04 2.34 2.11 3hl7A1 GLU 244 HG3 -0.01 0.03 0.02 -0.04 2.34 2.35 3hl7A1 LEU 245 H -0.02 0.04 -0.35 -0.55 8.37 7.49 3hl7A1 LEU 245 HA -0.06 0.11 0.53 -0.75 4.35 4.18 3hl7A1 LEU 245 HB2 -0.03 -0.07 0.03 -0.04 1.64 1.52 3hl7A1 LEU 245 HB3 -0.04 0.05 0.04 -0.04 1.64 1.66 3hl7A1 LEU 245 HG -0.10 0.08 -0.27 -0.04 1.64 1.31 3hl7A1 LEU 245 HD13 -0.14 -0.02 0.01 -0.04 0.93 0.74 3hl7A1 LEU 245 HD23 -0.05 -0.01 -0.12 -0.04 0.89 0.66 3hl7A1 LEU 246 H -0.04 0.55 -0.09 -0.55 8.37 8.24 3hl7A1 LEU 246 HA -0.07 0.01 0.37 -0.75 4.35 3.91 3hl7A1 LEU 246 HB2 -0.03 0.01 0.07 -0.04 1.64 1.64 3hl7A1 LEU 246 HB3 -0.04 -0.00 -0.03 -0.04 1.64 1.53 3hl7A1 LEU 246 HG -0.04 0.09 -0.16 -0.04 1.64 1.49 3hl7A1 LEU 246 HD13 -0.03 -0.01 -0.12 -0.04 0.93 0.73 3hl7A1 LEU 246 HD23 -0.04 -0.01 -0.04 -0.04 0.89 0.75 3hl7A1 LYS 247 H -0.04 0.41 -0.36 -0.55 8.42 7.87 3hl7A1 LYS 247 HA -0.03 0.09 0.40 -0.75 4.32 4.02 3hl7A1 LYS 247 HB2 -0.02 -0.04 0.10 -0.04 1.87 1.86 3hl7A1 LYS 247 HB3 -0.02 -0.02 0.07 -0.04 1.79 1.77 3hl7A1 LYS 247 HG2 -0.03 0.19 0.07 -0.04 1.46 1.66 3hl7A1 LYS 247 HG3 -0.02 -0.01 -0.13 -0.04 1.46 1.25 3hl7A1 LYS 247 HD2 -0.01 -0.04 -0.03 -0.04 1.69 1.57 3hl7A1 LYS 247 HD3 -0.01 -0.09 -0.01 -0.04 1.68 1.52 3hl7A1 LYS 247 HE2 -0.01 0.00 -0.03 -0.04 2.99 2.91 3hl7A1 LYS 247 HE3 -0.01 0.00 -0.02 -0.04 2.99 2.92 3hl7A1 LYS 248 H -0.08 0.41 -0.63 -0.55 8.42 7.56 3hl7A1 LYS 248 HA -0.06 0.12 0.64 -0.75 4.32 4.26 3hl7A1 LYS 248 HB2 -0.17 0.14 0.08 -0.04 1.87 1.88 3hl7A1 LYS 248 HB3 -0.15 -0.10 0.13 -0.04 1.79 1.62 3hl7A1 LYS 248 HG2 -0.03 -0.02 -0.03 -0.04 1.46 1.33 3hl7A1 LYS 248 HG3 -0.05 0.20 0.01 -0.04 1.46 1.58 3hl7A1 LYS 248 HD2 -0.08 -0.07 0.02 -0.04 1.69 1.52 3hl7A1 LYS 248 HD3 -0.04 -0.06 0.00 -0.04 1.68 1.54 3hl7A1 LYS 248 HE2 -0.00 0.01 -0.04 -0.04 2.99 2.92 3hl7A1 LYS 248 HE3 -0.02 0.11 -0.11 -0.04 2.99 2.93 3hl7A1 ILE 249 H -0.10 0.51 -0.30 -0.55 8.25 7.82 3hl7A1 ILE 249 HA -0.23 0.01 0.66 -0.75 4.18 3.86 3hl7A1 ILE 249 HB -0.09 0.16 0.14 -0.04 1.89 2.06 3hl7A1 ILE 249 HG12 -0.26 -0.06 -0.09 -0.04 1.49 1.03 3hl7A1 ILE 249 HG13 -0.18 0.12 -0.07 -0.04 1.21 1.04 3hl7A1 ILE 249 HG23 -0.09 -0.02 -0.15 -0.04 0.93 0.62 3hl7A1 ILE 249 HD13 -0.10 -0.01 -0.08 -0.04 0.88 0.65 3hl7A1 SER 250 H -0.04 0.13 0.15 -0.55 8.46 8.15 3hl7A1 SER 250 HA 0.00 0.16 0.35 -0.75 4.49 4.25 3hl7A1 SER 250 HB2 0.06 0.07 0.06 -0.04 3.95 4.10 3hl7A1 SER 250 HB3 0.09 -0.07 0.13 -0.04 3.93 4.04 3hl7A1 SER 251 H 0.00 0.03 -0.07 -0.55 8.46 7.88 3hl7A1 SER 251 HA 0.03 0.03 0.33 -0.75 4.49 4.13 3hl7A1 SER 251 HB2 0.04 0.11 0.11 -0.04 3.95 4.18 3hl7A1 SER 251 HB3 0.01 0.04 0.12 -0.04 3.93 4.05 3hl7A1 GLU 252 H 0.02 0.18 0.25 -0.55 8.60 8.49 3hl7A1 GLU 252 HA 0.01 0.17 0.49 -0.75 4.29 4.20 3hl7A1 GLU 252 HB2 0.01 0.08 0.20 -0.04 2.09 2.34 3hl7A1 GLU 252 HB3 0.01 -0.07 0.15 -0.04 1.99 2.04 3hl7A1 GLU 252 HG2 0.01 0.01 0.02 -0.04 2.34 2.34 3hl7A1 GLU 252 HG3 0.01 -0.02 -0.08 -0.04 2.34 2.21 3hl7A1 SER 253 H 0.02 0.08 -0.07 -0.55 8.46 7.94 3hl7A1 SER 253 HA 0.03 0.11 0.34 -0.75 4.49 4.21 3hl7A1 SER 253 HB2 0.02 0.07 -0.01 -0.04 3.95 3.98 3hl7A1 SER 253 HB3 0.02 0.04 0.08 -0.04 3.93 4.02 3hl7A1 ALA 254 H 0.02 0.04 -0.19 -0.55 8.40 7.73 3hl7A1 ALA 254 HA 0.05 0.07 0.47 -0.75 4.34 4.18 3hl7A1 ALA 254 HB3 0.00 0.04 0.06 -0.04 1.41 1.47 3hl7A1 ARG 255 H 0.01 0.46 -0.33 -0.55 8.46 8.05 3hl7A1 ARG 255 HA -0.00 0.01 0.47 -0.75 4.34 4.06 3hl7A1 ARG 255 HB2 -0.00 0.15 0.14 -0.04 1.90 2.14 3hl7A1 ARG 255 HB3 -0.01 -0.03 -0.05 -0.04 1.80 1.67 3hl7A1 ARG 255 HG2 -0.03 -0.08 0.03 -0.04 1.67 1.55 3hl7A1 ARG 255 HG3 -0.03 -0.02 -0.06 -0.04 1.67 1.52 3hl7A1 ARG 255 HD2 -0.02 -0.09 -0.03 -0.04 3.22 3.03 3hl7A1 ARG 255 HD3 -0.03 0.13 0.03 -0.04 3.22 3.30 3hl7A1 ASN 256 H 0.03 0.52 -0.02 -0.55 8.53 8.51 3hl7A1 ASN 256 HA 0.00 0.04 0.41 -0.75 4.76 4.46 3hl7A1 ASN 256 HB2 0.04 0.04 0.15 -0.04 2.88 3.08 3hl7A1 ASN 256 HB3 0.03 -0.02 -0.02 -0.04 2.79 2.73 3hl7A1 ASN 256 HD21 0.01 -0.04 -0.05 -0.04 7.03 6.90 3hl7A1 ASN 256 HD22 0.02 -0.07 -0.08 -0.04 7.74 7.56 3hl7A1 TYR 257 H 0.14 0.49 -0.20 -0.55 8.29 8.16 3hl7A1 TYR 257 HA -0.01 0.03 0.41 -0.75 4.56 4.24 3hl7A1 TYR 257 HB2 -0.01 -0.03 0.08 -0.04 3.06 3.06 3hl7A1 TYR 257 HB3 -0.01 0.08 0.15 -0.04 2.98 3.15 3hl7A1 TYR 257 HD2 -0.01 0.01 -0.09 -0.04 7.15 7.01 3hl7A1 TYR 257 HE2 -0.01 -0.02 -0.07 -0.04 6.85 6.72 3hl7A1 ILE 258 H 0.10 0.57 -0.00 -0.55 8.25 8.37 3hl7A1 ILE 258 HA -0.13 0.01 0.38 -0.75 4.18 3.69 3hl7A1 ILE 258 HB -0.01 0.03 0.16 -0.04 1.89 2.04 3hl7A1 ILE 258 HG12 0.06 -0.04 0.03 -0.04 1.49 1.50 3hl7A1 ILE 258 HG13 0.18 0.01 0.11 -0.04 1.21 1.47 3hl7A1 ILE 258 HG23 -0.03 -0.01 -0.12 -0.04 0.93 0.73 3hl7A1 ILE 258 HD13 -0.01 -0.03 -0.08 -0.04 0.88 0.72 3hl7A1 GLN 259 H -0.04 0.66 -0.07 -0.55 8.47 8.47 3hl7A1 GLN 259 HA -0.06 0.06 0.48 -0.75 4.36 4.10 3hl7A1 GLN 259 HB2 -0.03 0.10 0.03 -0.04 2.15 2.21 3hl7A1 GLN 259 HB3 -0.03 -0.07 0.07 -0.04 2.02 1.95 3hl7A1 GLN 259 HG2 -0.03 -0.03 -0.01 -0.04 2.40 2.29 3hl7A1 GLN 259 HG3 -0.03 0.03 0.08 -0.04 2.39 2.43 3hl7A1 GLN 259 HE21 -0.02 -0.04 -0.03 -0.04 6.97 6.83 3hl7A1 GLN 259 HE22 -0.02 0.01 -0.01 -0.04 7.69 7.62 3hl7A1 SER 260 H -0.13 0.25 -0.53 -0.55 8.46 7.51 3hl7A1 SER 260 HA -0.07 0.04 0.69 -0.75 4.49 4.40 3hl7A1 SER 260 HB2 -0.16 0.12 0.16 -0.04 3.95 4.04 3hl7A1 SER 260 HB3 -0.09 -0.15 0.05 -0.04 3.93 3.70 3hl7A1 LEU 261 H -0.21 0.27 -0.27 -0.55 8.37 7.61 3hl7A1 LEU 261 HA -0.14 -0.04 0.47 -0.75 4.35 3.88 3hl7A1 LEU 261 HB2 -0.15 0.13 0.04 -0.04 1.64 1.63 3hl7A1 LEU 261 HB3 -0.12 -0.01 0.04 -0.04 1.64 1.52 3hl7A1 LEU 261 HG -0.61 0.25 0.09 -0.04 1.64 1.33 3hl7A1 LEU 261 HD13 -0.15 -0.03 -0.04 -0.04 0.93 0.67 3hl7A1 LEU 261 HD23 -0.33 -0.04 -0.06 -0.04 0.89 0.42 3hl7A1 THR 262 H -0.06 0.03 0.12 -0.55 8.28 7.82 3hl7A1 THR 262 HA -0.04 0.04 0.52 -0.75 4.39 4.16 3hl7A1 THR 262 HB -0.02 -0.02 0.09 -0.04 4.32 4.32 3hl7A1 THR 262 HG23 -0.02 0.05 -0.00 -0.04 1.22 1.20 3hl7A1 GLN 263 H -0.02 0.04 0.15 -0.55 8.47 8.09 3hl7A1 GLN 263 HA -0.02 0.06 0.31 -0.75 4.36 3.96 3hl7A1 GLN 263 HB2 -0.01 0.00 0.04 -0.04 2.15 2.14 3hl7A1 GLN 263 HB3 -0.02 0.03 0.12 -0.04 2.02 2.10 3hl7A1 GLN 263 HG2 -0.01 -0.03 -0.03 -0.04 2.40 2.29 3hl7A1 GLN 263 HG3 -0.01 -0.04 -0.01 -0.04 2.39 2.29 3hl7A1 GLN 263 HE21 0.01 -0.03 -0.33 -0.04 6.97 6.57 3hl7A1 GLN 263 HE22 -0.00 0.01 -0.14 -0.04 7.69 7.51 3hl7A1 MET 264 H -0.00 0.10 0.21 -0.55 8.47 8.23 3hl7A1 MET 264 HA 0.01 0.21 0.88 -0.75 4.52 4.86 3hl7A1 MET 264 HB2 0.00 -0.01 -0.05 -0.04 2.15 2.05 3hl7A1 MET 264 HB3 0.02 -0.01 -0.02 -0.04 2.03 1.99 3hl7A1 MET 264 HG2 0.02 0.14 -0.00 -0.04 2.63 2.75 3hl7A1 MET 264 HG3 0.01 0.01 0.09 -0.04 2.56 2.62 3hl7A1 MET 264 HE3 0.01 -0.01 -0.27 -0.04 2.10 1.79 3hl7A1 PRO 265 HA 0.03 0.03 0.68 -0.51 4.44 4.67 3hl7A1 PRO 265 HB2 0.03 0.17 -0.04 -0.04 2.28 2.39 3hl7A1 PRO 265 HB3 0.02 -0.05 0.08 -0.04 2.02 2.02 3hl7A1 PRO 265 HG2 0.02 0.07 -0.02 -0.04 2.03 2.06 3hl7A1 PRO 265 HG3 0.01 -0.01 0.04 -0.04 2.03 2.03 3hl7A1 PRO 265 HD2 0.01 0.13 0.22 -0.04 3.68 4.00 3hl7A1 PRO 265 HD3 0.01 0.12 0.09 -0.04 3.65 3.83 3hl7A1 LYS 266 H 0.05 0.02 0.13 -0.55 8.42 8.06 3hl7A1 LYS 266 HA 0.12 0.12 0.20 -0.75 4.32 4.01 3hl7A1 LYS 266 HB2 0.08 0.08 0.12 -0.04 1.87 2.11 3hl7A1 LYS 266 HB3 0.07 -0.14 0.11 -0.04 1.79 1.78 3hl7A1 LYS 266 HG2 0.17 0.22 -0.08 -0.04 1.46 1.73 3hl7A1 LYS 266 HG3 0.21 0.05 0.15 -0.04 1.46 1.83 3hl7A1 LYS 266 HD2 0.04 -0.01 0.09 -0.04 1.69 1.77 3hl7A1 LYS 266 HD3 0.01 -0.11 0.03 -0.04 1.68 1.58 3hl7A1 LYS 266 HE2 -0.13 0.07 0.06 -0.04 2.99 2.94 3hl7A1 LYS 266 HE3 -0.16 -0.03 0.05 -0.04 2.99 2.81 3hl7A1 MET 267 H 0.17 0.74 0.28 -0.55 8.47 9.11 3hl7A1 MET 267 HA 0.07 0.06 0.54 -0.75 4.52 4.43 3hl7A1 MET 267 HB2 0.04 0.05 0.13 -0.04 2.15 2.32 3hl7A1 MET 267 HB3 0.00 -0.14 0.08 -0.04 2.03 1.93 3hl7A1 MET 267 HG2 0.02 -0.09 0.04 -0.04 2.63 2.56 3hl7A1 MET 267 HG3 0.04 0.34 0.20 -0.04 2.56 3.10 3hl7A1 MET 267 HE3 -0.06 -0.04 0.01 -0.04 2.10 1.98 3hl7A1 ASN 268 H 0.06 0.16 0.13 -0.55 8.53 8.33 3hl7A1 ASN 268 HA 0.15 0.13 0.73 -0.75 4.76 5.02 3hl7A1 ASN 268 HB2 0.05 0.11 0.12 -0.04 2.88 3.12 3hl7A1 ASN 268 HB3 0.04 -0.02 0.21 -0.04 2.79 2.98 3hl7A1 ASN 268 HD21 0.04 0.01 -0.01 -0.04 7.03 7.03 3hl7A1 ASN 268 HD22 0.03 0.06 0.02 -0.04 7.74 7.81 3hl7A1 PHE 269 H 0.44 0.29 0.12 -0.55 8.34 8.65 3hl7A1 PHE 269 HA 0.12 0.11 0.35 -0.75 4.62 4.45 3hl7A1 PHE 269 HB2 0.07 -0.03 0.11 -0.04 3.15 3.26 3hl7A1 PHE 269 HB3 0.17 0.02 -0.06 -0.04 3.06 3.15 3hl7A1 PHE 269 HD2 0.04 0.02 -0.09 -0.04 7.28 7.21 3hl7A1 PHE 269 HE2 0.04 0.08 -0.17 -0.04 7.38 7.29 3hl7A1 PHE 269 HZ 0.10 0.10 -0.04 -0.04 7.32 7.43 3hl7A1 ALA 270 H 0.18 0.10 -0.15 -0.55 8.40 7.99 3hl7A1 ALA 270 HA 0.12 0.08 0.28 -0.75 4.34 4.07 3hl7A1 ALA 270 HB3 0.07 0.01 0.01 -0.04 1.41 1.45 3hl7A1 ASN 271 H 0.06 0.12 -0.51 -0.55 8.53 7.65 3hl7A1 ASN 271 HA 0.00 0.10 0.70 -0.75 4.76 4.80 3hl7A1 ASN 271 HB2 0.00 0.10 0.15 -0.04 2.88 3.10 3hl7A1 ASN 271 HB3 -0.03 0.04 -0.00 -0.04 2.79 2.76 3hl7A1 ASN 271 HD21 0.01 -0.00 -0.00 -0.04 7.03 7.00 3hl7A1 ASN 271 HD22 0.02 -0.01 0.05 -0.04 7.74 7.76 3hl7A1 VAL 272 H -0.09 0.41 0.07 -0.55 8.24 8.08 3hl7A1 VAL 272 HA -0.26 0.06 0.47 -0.75 4.13 3.65 3hl7A1 VAL 272 HB -0.57 -0.03 0.13 -0.04 2.12 1.61 3hl7A1 VAL 272 HG13 -1.03 0.01 -0.10 -0.04 0.97 -0.19 3hl7A1 VAL 272 HG23 -0.23 0.03 0.00 -0.04 0.95 0.71 3hl7A1 PHE 273 H -0.00 0.60 -0.16 -0.55 8.34 8.22 3hl7A1 PHE 273 HA -0.08 0.21 0.67 -0.75 4.62 4.67 3hl7A1 PHE 273 HB2 -0.04 0.00 -0.02 -0.04 3.15 3.05 3hl7A1 PHE 273 HB3 -0.06 -0.08 0.09 -0.04 3.06 2.96 3hl7A1 PHE 273 HD2 -0.13 0.03 -0.02 -0.04 7.28 7.13 3hl7A1 PHE 273 HE2 -0.59 0.00 -0.04 -0.04 7.38 6.71 3hl7A1 PHE 273 HZ -0.38 0.01 -0.05 -0.04 7.32 6.86 3hl7A1 ILE 274 H -0.02 0.30 -0.63 -0.55 8.25 7.35 3hl7A1 ILE 274 HA 0.04 0.00 0.38 -0.75 4.18 3.86 3hl7A1 ILE 274 HB 0.00 0.10 0.29 -0.04 1.89 2.24 3hl7A1 ILE 274 HG12 0.01 -0.03 -0.01 -0.04 1.49 1.41 3hl7A1 ILE 274 HG13 0.02 -0.04 0.13 -0.04 1.21 1.28 3hl7A1 ILE 274 HG23 -0.02 0.01 -0.00 -0.04 0.93 0.88 3hl7A1 ILE 274 HD13 0.00 -0.03 0.03 -0.04 0.88 0.84 3hl7A1 GLY 275 H 0.03 0.09 0.16 -0.55 8.43 8.17 3hl7A1 GLY 275 HA2 0.02 -0.06 0.40 -0.51 4.01 3.85 3hl7A1 GLY 275 HA3 0.02 0.18 0.75 -0.51 4.01 4.45 3hl7A1 ALA 276 H 0.06 0.59 -0.25 -0.55 8.40 8.25 3hl7A1 ALA 276 HA 0.03 0.03 0.47 -0.75 4.34 4.12 3hl7A1 ALA 276 HB3 0.02 -0.01 0.04 -0.04 1.41 1.42 3hl7A1 ASN 277 H 0.04 0.10 0.16 -0.55 8.53 8.29 3hl7A1 ASN 277 HA 0.04 0.19 0.62 -0.75 4.76 4.85 3hl7A1 ASN 277 HB2 0.12 0.09 0.21 -0.04 2.88 3.27 3hl7A1 ASN 277 HB3 0.08 -0.16 0.20 -0.04 2.79 2.87 3hl7A1 ASN 277 HD21 0.13 0.07 0.04 -0.04 7.03 7.22 3hl7A1 ASN 277 HD22 0.19 0.03 0.06 -0.04 7.74 7.98 3hl7A1 PRO 278 HA 0.01 0.09 0.45 -0.51 4.44 4.48 3hl7A1 PRO 278 HB2 0.02 -0.00 0.02 -0.04 2.28 2.28 3hl7A1 PRO 278 HB3 0.02 0.04 0.09 -0.04 2.02 2.13 3hl7A1 PRO 278 HG2 0.02 0.05 0.10 -0.04 2.03 2.15 3hl7A1 PRO 278 HG3 0.02 0.10 0.10 -0.04 2.03 2.22 3hl7A1 PRO 278 HD2 0.03 0.03 0.24 -0.04 3.68 3.95 3hl7A1 PRO 278 HD3 0.03 0.33 0.29 -0.04 3.65 4.26 3hl7A1 LEU 279 H 0.04 0.14 -0.28 -0.55 8.37 7.72 3hl7A1 LEU 279 HA 0.07 0.10 0.54 -0.75 4.35 4.31 3hl7A1 LEU 279 HB2 0.15 0.01 0.04 -0.04 1.64 1.79 3hl7A1 LEU 279 HB3 0.25 0.01 -0.14 -0.04 1.64 1.72 3hl7A1 LEU 279 HG 0.11 -0.11 -0.18 -0.04 1.64 1.42 3hl7A1 LEU 279 HD13 0.03 0.01 -0.05 -0.04 0.93 0.87 3hl7A1 LEU 279 HD23 0.06 0.04 -0.08 -0.04 0.89 0.86 3hl7A1 ALA 280 H -0.19 0.14 -0.18 -0.55 8.40 7.62 3hl7A1 ALA 280 HA -1.10 0.05 0.51 -0.75 4.34 3.05 3hl7A1 ALA 280 HB3 -0.43 0.05 0.07 -0.04 1.41 1.06 3hl7A1 VAL 281 H -0.13 0.51 -0.19 -0.55 8.24 7.87 3hl7A1 VAL 281 HA -0.15 0.07 0.31 -0.75 4.13 3.60 3hl7A1 VAL 281 HB -0.00 0.09 0.07 -0.04 2.12 2.25 3hl7A1 VAL 281 HG13 0.14 -0.02 -0.29 -0.04 0.97 0.75 3hl7A1 VAL 281 HG23 0.04 0.04 -0.19 -0.04 0.95 0.80 3hl7A1 ASP 282 H -0.06 0.46 -0.25 -0.55 8.40 8.01 3hl7A1 ASP 282 HA -0.04 0.01 0.35 -0.75 4.63 4.20 3hl7A1 ASP 282 HB2 0.03 0.07 0.12 -0.04 2.71 2.89 3hl7A1 ASP 282 HB3 0.13 0.05 0.12 -0.04 2.70 2.96 3hl7A1 LEU 283 H -0.30 0.50 -0.16 -0.55 8.37 7.86 3hl7A1 LEU 283 HA -0.38 0.03 0.55 -0.75 4.35 3.80 3hl7A1 LEU 283 HB2 -0.96 -0.02 0.12 -0.04 1.64 0.74 3hl7A1 LEU 283 HB3 -0.50 0.08 0.11 -0.04 1.64 1.29 3hl7A1 LEU 283 HG -0.17 -0.00 -0.18 -0.04 1.64 1.25 3hl7A1 LEU 283 HD13 -0.24 -0.02 0.03 -0.04 0.93 0.66 3hl7A1 LEU 283 HD23 -0.04 -0.01 -0.07 -0.04 0.89 0.73 3hl7A1 LEU 284 H -0.26 0.63 -0.12 -0.55 8.37 8.08 3hl7A1 LEU 284 HA -0.15 -0.02 0.46 -0.75 4.35 3.89 3hl7A1 LEU 284 HB2 -0.26 0.18 0.18 -0.04 1.64 1.71 3hl7A1 LEU 284 HB3 0.04 0.01 -0.05 -0.04 1.64 1.60 3hl7A1 LEU 284 HG -0.45 0.00 -0.01 -0.04 1.64 1.15 3hl7A1 LEU 284 HD13 -0.25 -0.03 0.04 -0.04 0.93 0.65 3hl7A1 LEU 284 HD23 -0.93 -0.00 -0.11 -0.04 0.89 -0.18 3hl7A1 GLU 285 H -0.13 0.52 -0.16 -0.55 8.60 8.28 3hl7A1 GLU 285 HA -0.68 0.08 0.43 -0.75 4.29 3.37 3hl7A1 GLU 285 HB2 -0.49 -0.01 0.06 -0.04 2.09 1.60 3hl7A1 GLU 285 HB3 -0.87 -0.07 0.08 -0.04 1.99 1.09 3hl7A1 GLU 285 HG2 -0.14 0.15 0.18 -0.04 2.34 2.49 3hl7A1 GLU 285 HG3 -0.15 0.01 -0.04 -0.04 2.34 2.13 3hl7A1 LYS 286 H -0.11 0.34 -0.49 -0.55 8.42 7.61 3hl7A1 LYS 286 HA -0.04 0.12 0.62 -0.75 4.32 4.27 3hl7A1 LYS 286 HB2 -0.05 0.11 0.17 -0.04 1.87 2.06 3hl7A1 LYS 286 HB3 0.01 -0.12 0.09 -0.04 1.79 1.73 3hl7A1 LYS 286 HG2 0.00 -0.02 0.01 -0.04 1.46 1.41 3hl7A1 LYS 286 HG3 -0.03 0.11 -0.01 -0.04 1.46 1.50 3hl7A1 LYS 286 HD2 0.11 -0.00 -0.07 -0.04 1.69 1.69 3hl7A1 LYS 286 HD3 0.10 -0.05 -0.01 -0.04 1.68 1.67 3hl7A1 LYS 286 HE2 0.10 -0.04 -0.03 -0.04 2.99 2.98 3hl7A1 LYS 286 HE3 0.04 0.01 -0.02 -0.04 2.99 2.98 3hl7A1 MET 287 H -0.06 0.37 -0.12 -0.55 8.47 8.11 3hl7A1 MET 287 HA 0.04 0.03 0.68 -0.75 4.52 4.52 3hl7A1 MET 287 HB2 -0.08 0.08 0.14 -0.04 2.15 2.24 3hl7A1 MET 287 HB3 -0.04 0.02 -0.03 -0.04 2.03 1.94 3hl7A1 MET 287 HG2 0.02 -0.05 -0.06 -0.04 2.63 2.50 3hl7A1 MET 287 HG3 -0.05 0.14 -0.05 -0.04 2.56 2.56 3hl7A1 MET 287 HE3 0.07 -0.01 -0.11 -0.04 2.10 2.00 3hl7A1 LEU 288 H -0.04 0.53 -0.07 -0.55 8.37 8.25 3hl7A1 LEU 288 HA -0.34 0.11 0.52 -0.75 4.35 3.88 3hl7A1 LEU 288 HB2 0.19 0.10 0.11 -0.04 1.64 1.99 3hl7A1 LEU 288 HB3 -0.12 -0.03 0.12 -0.04 1.64 1.57 3hl7A1 LEU 288 HG -0.23 -0.06 -0.04 -0.04 1.64 1.27 3hl7A1 LEU 288 HD13 -0.05 0.00 -0.10 -0.04 0.93 0.73 3hl7A1 LEU 288 HD23 -1.17 -0.01 -0.09 -0.04 0.89 -0.42 3hl7A1 VAL 289 H 0.20 0.27 -0.69 -0.55 8.24 7.47 3hl7A1 VAL 289 HA 0.15 0.12 0.63 -0.75 4.13 4.27 3hl7A1 VAL 289 HB 0.13 -0.00 -0.22 -0.04 2.12 1.98 3hl7A1 VAL 289 HG13 0.07 -0.05 -0.17 -0.04 0.97 0.78 3hl7A1 VAL 289 HG23 0.02 0.01 -0.14 -0.04 0.95 0.80 3hl7A1 LEU 290 H 0.17 0.19 0.09 -0.55 8.37 8.28 3hl7A1 LEU 290 HA 0.12 0.07 0.23 -0.75 4.35 4.03 3hl7A1 LEU 290 HB2 0.12 0.19 0.05 -0.04 1.64 1.95 3hl7A1 LEU 290 HB3 0.05 -0.13 0.08 -0.04 1.64 1.60 3hl7A1 LEU 290 HG -0.04 -0.12 -0.17 -0.04 1.64 1.27 3hl7A1 LEU 290 HD13 -0.10 0.00 -0.03 -0.04 0.93 0.76 3hl7A1 LEU 290 HD23 -0.00 0.06 -0.12 -0.04 0.89 0.78 3hl7A1 ASP 291 H 0.06 0.09 -0.09 -0.55 8.40 7.91 3hl7A1 ASP 291 HA -0.01 0.05 0.48 -0.75 4.63 4.40 3hl7A1 ASP 291 HB2 0.01 -0.00 0.07 -0.04 2.71 2.75 3hl7A1 ASP 291 HB3 0.04 0.02 0.09 -0.04 2.70 2.81 3hl7A1 SER 292 H 0.06 0.16 0.23 -0.55 8.46 8.36 3hl7A1 SER 292 HA 0.14 0.20 0.16 -0.75 4.49 4.23 3hl7A1 SER 292 HB2 0.17 -0.06 0.07 -0.04 3.95 4.09 3hl7A1 SER 292 HB3 0.14 0.06 0.15 -0.04 3.93 4.24 3hl7A1 ASP 293 H 0.08 0.03 -0.35 -0.55 8.40 7.62 3hl7A1 ASP 293 HA 0.09 0.08 0.48 -0.75 4.63 4.52 3hl7A1 ASP 293 HB2 0.05 -0.03 -0.05 -0.04 2.71 2.64 3hl7A1 ASP 293 HB3 0.05 0.05 0.01 -0.04 2.70 2.78 3hl7A1 LYS 294 H 0.07 0.56 -0.30 -0.55 8.42 8.20 3hl7A1 LYS 294 HA 0.05 0.16 0.69 -0.75 4.32 4.47 3hl7A1 LYS 294 HB2 0.05 0.07 0.00 -0.04 1.87 1.95 3hl7A1 LYS 294 HB3 0.04 -0.00 0.10 -0.04 1.79 1.88 3hl7A1 LYS 294 HG2 0.03 -0.11 -0.09 -0.04 1.46 1.25 3hl7A1 LYS 294 HG3 0.03 -0.03 -0.03 -0.04 1.46 1.39 3hl7A1 LYS 294 HD2 0.03 0.06 -0.08 -0.04 1.69 1.66 3hl7A1 LYS 294 HD3 0.04 -0.02 -0.65 -0.04 1.68 1.01 3hl7A1 LYS 294 HE2 0.02 -0.07 -0.10 -0.04 2.99 2.81 3hl7A1 LYS 294 HE3 0.02 0.00 -0.06 -0.04 2.99 2.91 3hl7A1 ARG 295 H 0.10 0.16 -0.29 -0.55 8.46 7.87 3hl7A1 ARG 295 HA 0.09 0.20 0.57 -0.75 4.34 4.45 3hl7A1 ARG 295 HB2 0.14 0.02 0.13 -0.04 1.90 2.15 3hl7A1 ARG 295 HB3 0.13 0.04 -0.07 -0.04 1.80 1.86 3hl7A1 ARG 295 HG2 0.18 0.15 0.08 -0.04 1.67 2.04 3hl7A1 ARG 295 HG3 0.20 -0.01 -0.09 -0.04 1.67 1.74 3hl7A1 ARG 295 HD2 0.22 -0.16 0.04 -0.04 3.22 3.28 3hl7A1 ARG 295 HD3 0.34 0.03 0.08 -0.04 3.22 3.63 3hl7A1 ILE 296 H 0.06 0.55 0.25 -0.55 8.25 8.56 3hl7A1 ILE 296 HA 0.06 -0.01 0.35 -0.75 4.18 3.84 3hl7A1 ILE 296 HB 0.05 0.06 0.06 -0.04 1.89 2.02 3hl7A1 ILE 296 HG12 0.07 0.06 -0.07 -0.04 1.49 1.52 3hl7A1 ILE 296 HG13 0.07 -0.03 -0.01 -0.04 1.21 1.20 3hl7A1 ILE 296 HG23 0.05 0.01 -0.20 -0.04 0.93 0.75 3hl7A1 ILE 296 HD13 0.09 0.02 -0.19 -0.04 0.88 0.76 3hl7A1 THR 297 H 0.07 0.04 0.17 -0.55 8.28 8.01 3hl7A1 THR 297 HA 0.10 0.18 0.67 -0.75 4.39 4.59 3hl7A1 THR 297 HB 0.09 -0.02 0.15 -0.04 4.32 4.50 3hl7A1 THR 297 HG23 0.06 0.05 0.03 -0.04 1.22 1.33 3hl7A1 ALA 298 H 0.14 0.18 0.11 -0.55 8.40 8.28 3hl7A1 ALA 298 HA 0.02 0.10 0.39 -0.75 4.34 4.10 3hl7A1 ALA 298 HB3 -0.03 0.07 0.05 -0.04 1.41 1.45 3hl7A1 ALA 299 H 0.05 0.07 -0.09 -0.55 8.40 7.89 3hl7A1 ALA 299 HA 0.04 0.16 0.34 -0.75 4.34 4.12 3hl7A1 ALA 299 HB3 0.05 0.03 0.04 -0.04 1.41 1.49 3hl7A1 GLN 300 H 0.06 0.00 -0.27 -0.55 8.47 7.71 3hl7A1 GLN 300 HA 0.06 0.11 0.45 -0.75 4.36 4.23 3hl7A1 GLN 300 HB2 0.07 -0.08 0.12 -0.04 2.15 2.21 3hl7A1 GLN 300 HB3 0.07 0.05 -0.06 -0.04 2.02 2.05 3hl7A1 GLN 300 HG2 0.05 0.07 0.01 -0.04 2.40 2.49 3hl7A1 GLN 300 HG3 0.05 -0.05 0.01 -0.04 2.39 2.37 3hl7A1 GLN 300 HE21 0.04 0.07 -0.00 -0.04 6.97 7.04 3hl7A1 GLN 300 HE22 0.04 0.01 -0.00 -0.04 7.69 7.70 3hl7A1 ALA 301 H 0.07 0.52 -0.22 -0.55 8.40 8.22 3hl7A1 ALA 301 HA 0.17 -0.01 0.43 -0.75 4.34 4.17 3hl7A1 ALA 301 HB3 0.10 0.03 0.02 -0.04 1.41 1.52 3hl7A1 LEU 302 H 0.02 0.45 -0.26 -0.55 8.37 8.04 3hl7A1 LEU 302 HA -0.06 0.01 0.34 -0.75 4.35 3.89 3hl7A1 LEU 302 HB2 0.04 0.14 0.06 -0.04 1.64 1.85 3hl7A1 LEU 302 HB3 0.19 -0.04 -0.04 -0.04 1.64 1.71 3hl7A1 LEU 302 HG -0.12 0.09 -0.05 -0.04 1.64 1.52 3hl7A1 LEU 302 HD13 -0.03 -0.01 -0.11 -0.04 0.93 0.74 3hl7A1 LEU 302 HD23 -0.39 -0.02 -0.07 -0.04 0.89 0.37 3hl7A1 ALA 303 H -0.02 0.26 -0.51 -0.55 8.40 7.59 3hl7A1 ALA 303 HA -0.66 0.09 0.50 -0.75 4.34 3.52 3hl7A1 ALA 303 HB3 -0.03 0.01 0.07 -0.04 1.41 1.41 3hl7A1 HIS 304 H 0.26 0.42 -0.43 -0.55 8.41 8.11 3hl7A1 HIS 304 HA 0.05 0.03 0.51 -0.75 4.63 4.46 3hl7A1 HIS 304 HB2 0.11 0.07 0.14 -0.04 3.26 3.54 3hl7A1 HIS 304 HB3 0.21 0.08 0.10 -0.04 3.20 3.55 3hl7A1 HIS 304 HD2 0.01 0.07 -0.02 -0.04 6.97 6.99 3hl7A1 HIS 304 HE1 -0.06 0.05 0.06 -0.04 7.75 7.76 3hl7A1 ALA 305 H -0.54 0.14 0.15 -0.55 8.40 7.60 3hl7A1 ALA 305 HA 0.00 0.16 0.25 -0.75 4.34 4.00 3hl7A1 ALA 305 HB3 -0.12 0.01 0.09 -0.04 1.41 1.35 3hl7A1 TYR 306 H 0.63 0.09 -0.38 -0.55 8.29 8.07 3hl7A1 TYR 306 HA -0.08 -0.02 0.37 -0.75 4.56 4.08 3hl7A1 TYR 306 HB2 -0.12 0.01 -0.07 -0.04 3.06 2.83 3hl7A1 TYR 306 HB3 -0.90 0.11 -0.06 -0.04 2.98 2.08 3hl7A1 TYR 306 HD2 -0.59 -0.01 -0.09 -0.04 7.15 6.42 3hl7A1 TYR 306 HE2 -0.04 -0.01 -0.06 -0.04 6.85 6.70 3hl7A1 PHE 307 H 0.09 0.50 -0.32 -0.55 8.34 8.07 3hl7A1 PHE 307 HA 0.07 0.10 0.61 -0.75 4.62 4.65 3hl7A1 PHE 307 HB2 0.20 0.32 0.08 -0.04 3.15 3.70 3hl7A1 PHE 307 HB3 0.23 -0.08 0.16 -0.04 3.06 3.33 3hl7A1 PHE 307 HD2 0.18 0.16 0.00 -0.04 7.28 7.57 3hl7A1 PHE 307 HE2 0.15 0.02 -0.08 -0.04 7.38 7.43 3hl7A1 PHE 307 HZ 0.17 -0.04 -0.18 -0.04 7.32 7.24 3hl7A1 ALA 308 H 0.06 0.45 -0.48 -0.55 8.40 7.89 3hl7A1 ALA 308 HA 0.10 0.09 0.29 -0.75 4.34 4.07 3hl7A1 ALA 308 HB3 0.00 -0.01 0.09 -0.04 1.41 1.45 3hl7A1 GLN 309 H -0.10 0.08 -0.27 -0.55 8.47 7.64 3hl7A1 GLN 309 HA -0.18 0.13 0.46 -0.75 4.36 4.02 3hl7A1 GLN 309 HB2 -0.33 0.01 0.09 -0.04 2.15 1.88 3hl7A1 GLN 309 HB3 -0.22 -0.06 0.06 -0.04 2.02 1.76 3hl7A1 GLN 309 HG2 -0.50 -0.02 -0.05 -0.04 2.40 1.79 3hl7A1 GLN 309 HG3 -1.59 0.07 -0.30 -0.04 2.39 0.54 3hl7A1 GLN 309 HE21 -0.09 -0.06 0.01 -0.04 6.97 6.79 3hl7A1 GLN 309 HE22 -0.06 0.02 0.01 -0.04 7.69 7.61 3hl7A1 TYR 310 H -0.04 0.34 -0.30 -0.55 8.29 7.75 3hl7A1 TYR 310 HA -0.21 0.17 0.87 -0.75 4.56 4.64 3hl7A1 TYR 310 HB2 -0.50 0.02 0.06 -0.04 3.06 2.59 3hl7A1 TYR 310 HB3 -1.14 -0.01 -0.00 -0.04 2.98 1.79 3hl7A1 TYR 310 HD2 -0.07 0.02 -0.05 -0.04 7.15 7.01 3hl7A1 TYR 310 HE2 -0.27 -0.02 -0.06 -0.04 6.85 6.46 3hl7A1 HIS 311 H 0.13 0.45 0.07 -0.55 8.41 8.52 3hl7A1 HIS 311 HA 0.18 -0.04 0.20 -0.75 4.63 4.21 3hl7A1 HIS 311 HB2 0.25 0.12 0.08 -0.04 3.26 3.67 3hl7A1 HIS 311 HB3 0.11 -0.02 0.04 -0.04 3.20 3.29 3hl7A1 HIS 311 HD2 0.09 -0.03 -0.12 -0.04 6.97 6.86 3hl7A1 HIS 311 HE1 0.10 -0.02 -0.20 -0.04 7.75 7.58 3hl7A1 ASP 312 H -0.05 0.20 0.03 -0.55 8.40 8.04 3hl7A1 ASP 312 HA -0.26 0.16 0.61 -0.75 4.63 4.38 3hl7A1 ASP 312 HB2 -0.05 0.17 -0.11 -0.04 2.71 2.68 3hl7A1 ASP 312 HB3 -0.01 0.03 0.10 -0.04 2.70 2.78 3hl7A1 PRO 313 HA -0.00 0.13 0.31 -0.51 4.44 4.37 3hl7A1 PRO 313 HB2 0.02 0.04 -0.04 -0.04 2.28 2.26 3hl7A1 PRO 313 HB3 0.10 0.04 0.07 -0.04 2.02 2.20 3hl7A1 PRO 313 HG2 0.01 0.04 0.03 -0.04 2.03 2.06 3hl7A1 PRO 313 HG3 0.10 0.07 0.00 -0.04 2.03 2.16 3hl7A1 PRO 313 HD2 -0.12 0.08 0.13 -0.04 3.68 3.72 3hl7A1 PRO 313 HD3 -0.46 0.22 0.03 -0.04 3.65 3.40 3hl7A1 ASP 314 H -0.04 0.09 -0.36 -0.55 8.40 7.55 3hl7A1 ASP 314 HA 0.01 0.16 0.68 -0.75 4.63 4.73 3hl7A1 ASP 314 HB2 -0.01 0.01 -0.02 -0.04 2.71 2.65 3hl7A1 ASP 314 HB3 0.00 0.02 0.11 -0.04 2.70 2.79 3hl7A1 ASP 315 H 0.00 0.54 -0.38 -0.55 8.40 8.01 3hl7A1 ASP 315 HA 0.01 0.16 0.77 -0.75 4.63 4.82 3hl7A1 ASP 315 HB2 0.01 -0.06 -0.13 -0.04 2.71 2.48 3hl7A1 ASP 315 HB3 0.04 0.06 0.12 -0.04 2.70 2.87 3hl7A1 GLU 316 H 0.05 0.21 -0.37 -0.55 8.60 7.95 3hl7A1 GLU 316 HA 0.09 0.13 0.73 -0.75 4.29 4.48 3hl7A1 GLU 316 HB2 0.09 -0.02 0.09 -0.04 2.09 2.21 3hl7A1 GLU 316 HB3 0.08 -0.03 0.11 -0.04 1.99 2.11 3hl7A1 GLU 316 HG2 0.07 -0.00 0.01 -0.04 2.34 2.38 3hl7A1 GLU 316 HG3 0.13 0.12 -0.53 -0.04 2.34 2.02 3hl7A1 PRO 317 HA 0.10 0.04 0.32 -0.51 4.44 4.39 3hl7A1 PRO 317 HB2 0.17 0.19 0.03 -0.04 2.28 2.63 3hl7A1 PRO 317 HB3 0.07 0.00 0.07 -0.04 2.02 2.12 3hl7A1 PRO 317 HG2 0.12 0.02 0.02 -0.04 2.03 2.15 3hl7A1 PRO 317 HG3 -0.03 0.03 0.02 -0.04 2.03 2.01 3hl7A1 PRO 317 HD2 0.13 0.08 0.06 -0.04 3.68 3.91 3hl7A1 PRO 317 HD3 0.02 0.10 -0.33 -0.04 3.65 3.40 3hl7A1 VAL 318 H 0.10 0.09 0.17 -0.55 8.24 8.05 3hl7A1 VAL 318 HA 0.07 0.15 0.82 -0.75 4.13 4.42 3hl7A1 VAL 318 HB -0.01 0.05 0.14 -0.04 2.12 2.27 3hl7A1 VAL 318 HG13 0.04 -0.00 -0.01 -0.04 0.97 0.96 3hl7A1 VAL 318 HG23 0.04 -0.00 -0.03 -0.04 0.95 0.92 3hl7A1 ALA 319 H -0.24 0.13 0.11 -0.55 8.40 7.85 3hl7A1 ALA 319 HA -0.17 0.09 0.61 -0.75 4.34 4.11 3hl7A1 ALA 319 HB3 -0.82 0.01 -0.01 -0.04 1.41 0.54 3hl7A1 ASP 320 H -0.02 0.11 0.15 -0.55 8.40 8.09 3hl7A1 ASP 320 HA 0.05 0.05 0.61 -0.75 4.63 4.59 3hl7A1 ASP 320 HB2 0.00 0.03 0.11 -0.04 2.71 2.81 3hl7A1 ASP 320 HB3 0.11 0.07 0.11 -0.04 2.70 2.95 3hl7A1 PRO 321 HA 0.08 0.11 0.58 -0.51 4.44 4.69 3hl7A1 PRO 321 HB2 0.06 -0.03 -0.07 -0.04 2.28 2.20 3hl7A1 PRO 321 HB3 0.04 0.02 0.10 -0.04 2.02 2.15 3hl7A1 PRO 321 HG2 0.07 0.00 0.09 -0.04 2.03 2.16 3hl7A1 PRO 321 HG3 0.05 0.01 0.09 -0.04 2.03 2.13 3hl7A1 PRO 321 HD2 0.08 0.05 0.25 -0.04 3.68 4.02 3hl7A1 PRO 321 HD3 0.05 0.15 0.18 -0.04 3.65 3.99 3hl7A1 TYR 322 H 0.07 0.22 0.17 -0.55 8.29 8.20 3hl7A1 TYR 322 HA -0.19 0.13 0.83 -0.75 4.56 4.58 3hl7A1 TYR 322 HB2 -0.99 0.09 -0.06 -0.04 3.06 2.05 3hl7A1 TYR 322 HB3 -0.23 0.18 0.18 -0.04 2.98 3.06 3hl7A1 TYR 322 HD2 -0.27 0.07 -0.07 -0.04 7.15 6.83 3hl7A1 TYR 322 HE2 0.03 0.02 -0.17 -0.04 6.85 6.69 3hl7A1 ASP 323 H -0.23 0.22 0.09 -0.55 8.40 7.93 3hl7A1 ASP 323 HA -0.16 0.06 0.60 -0.75 4.63 4.38 3hl7A1 ASP 323 HB2 -0.04 0.06 0.07 -0.04 2.71 2.76 3hl7A1 ASP 323 HB3 -0.08 0.07 0.20 -0.04 2.70 2.85 3hl7A1 GLN 324 H -0.19 0.27 0.23 -0.55 8.47 8.23 3hl7A1 GLN 324 HA -0.29 0.21 0.75 -0.75 4.36 4.28 3hl7A1 GLN 324 HB2 -0.13 0.02 0.10 -0.04 2.15 2.10 3hl7A1 GLN 324 HB3 -0.23 -0.04 0.19 -0.04 2.02 1.90 3hl7A1 GLN 324 HG2 0.04 0.00 -0.12 -0.04 2.40 2.28 3hl7A1 GLN 324 HG3 -0.10 0.18 -0.10 -0.04 2.39 2.33 3hl7A1 GLN 324 HE21 0.05 0.37 0.17 -0.04 6.97 7.52 3hl7A1 GLN 324 HE22 0.05 -0.00 0.08 -0.04 7.69 7.78 3hl7A1 SER 325 H -0.05 0.13 -0.25 -0.55 8.46 7.75 3hl7A1 SER 325 HA -0.06 0.10 0.30 -0.75 4.49 4.07 3hl7A1 SER 325 HB2 0.01 0.02 0.05 -0.04 3.95 3.99 3hl7A1 SER 325 HB3 -0.01 0.03 0.08 -0.04 3.93 3.98 3hl7A1 PHE 326 H 0.26 0.16 -0.36 -0.55 8.34 7.85 3hl7A1 PHE 326 HA 0.17 0.02 0.35 -0.75 4.62 4.40 3hl7A1 PHE 326 HB2 0.54 -0.02 0.03 -0.04 3.15 3.66 3hl7A1 PHE 326 HB3 0.30 0.00 0.03 -0.04 3.06 3.35 3hl7A1 PHE 326 HD2 0.19 0.00 -0.14 -0.04 7.28 7.30 3hl7A1 PHE 326 HE2 -0.01 0.06 -0.03 -0.04 7.38 7.36 3hl7A1 PHE 326 HZ 0.06 0.05 0.00 -0.04 7.32 7.39 3hl7A1 GLU 327 H -0.65 0.48 -0.38 -0.55 8.60 7.51 3hl7A1 GLU 327 HA -0.22 0.04 0.38 -0.75 4.29 3.73 3hl7A1 GLU 327 HB2 -0.29 0.11 0.12 -0.04 2.09 1.99 3hl7A1 GLU 327 HB3 -0.20 -0.03 0.05 -0.04 1.99 1.76 3hl7A1 GLU 327 HG2 -1.32 -0.07 0.08 -0.04 2.34 0.98 3hl7A1 GLU 327 HG3 -0.35 0.01 0.08 -0.04 2.34 2.04 3hl7A1 SER 328 H -0.04 0.33 -0.26 -0.55 8.46 7.94 3hl7A1 SER 328 HA 0.00 0.09 0.60 -0.75 4.49 4.44 3hl7A1 SER 328 HB2 -0.00 -0.06 0.12 -0.04 3.95 3.96 3hl7A1 SER 328 HB3 -0.03 -0.04 0.08 -0.04 3.93 3.90 3hl7A1 ARG 329 H 0.18 0.48 -0.37 -0.55 8.46 8.20 3hl7A1 ARG 329 HA 0.07 0.06 0.62 -0.75 4.34 4.35 3hl7A1 ARG 329 HB2 0.24 0.16 0.13 -0.04 1.90 2.39 3hl7A1 ARG 329 HB3 -0.01 -0.09 -0.06 -0.04 1.80 1.61 3hl7A1 ARG 329 HG2 0.03 0.01 -0.11 -0.04 1.67 1.56 3hl7A1 ARG 329 HG3 0.08 0.09 -0.10 -0.04 1.67 1.70 3hl7A1 ARG 329 HD2 -0.06 -0.03 -0.06 -0.04 3.22 3.02 3hl7A1 ARG 329 HD3 -0.01 -0.01 -0.07 -0.04 3.22 3.10 3hl7A1 ASP 330 H 0.05 0.17 0.12 -0.55 8.40 8.20 3hl7A1 ASP 330 HA 0.24 0.15 0.85 -0.75 4.63 5.12 3hl7A1 ASP 330 HB2 0.04 -0.02 0.19 -0.04 2.71 2.88 3hl7A1 ASP 330 HB3 0.07 -0.04 0.04 -0.04 2.70 2.72 3hl7A1 LEU 331 H 0.29 0.24 0.08 -0.55 8.37 8.44 3hl7A1 LEU 331 HA -0.21 0.17 0.82 -0.75 4.35 4.38 3hl7A1 LEU 331 HB2 -1.51 0.07 -0.06 -0.04 1.64 0.10 3hl7A1 LEU 331 HB3 -1.08 -0.01 -0.03 -0.04 1.64 0.48 3hl7A1 LEU 331 HG -0.54 -0.06 -0.01 -0.04 1.64 0.98 3hl7A1 LEU 331 HD13 -0.25 0.01 -0.20 -0.04 0.93 0.45 3hl7A1 LEU 331 HD23 -1.18 0.02 -0.13 -0.04 0.89 -0.43 3hl7A1 LEU 332 H -0.20 0.12 0.17 -0.55 8.37 7.91 3hl7A1 LEU 332 HA 0.02 0.17 0.62 -0.75 4.35 4.41 3hl7A1 LEU 332 HB2 -0.09 -0.12 0.12 -0.04 1.64 1.52 3hl7A1 LEU 332 HB3 -0.03 -0.01 0.16 -0.04 1.64 1.72 3hl7A1 LEU 332 HG -0.08 0.01 0.09 -0.04 1.64 1.63 3hl7A1 LEU 332 HD13 -0.05 0.02 0.04 -0.04 0.93 0.90 3hl7A1 LEU 332 HD23 -0.02 0.03 0.00 -0.04 0.89 0.87 3hl7A1 ILE 333 H 0.07 0.20 0.17 -0.55 8.25 8.14 3hl7A1 ILE 333 HA 0.28 0.10 0.38 -0.75 4.18 4.19 3hl7A1 ILE 333 HB 0.04 -0.02 0.10 -0.04 1.89 1.97 3hl7A1 ILE 333 HG12 0.15 0.01 -0.34 -0.04 1.49 1.26 3hl7A1 ILE 333 HG13 0.09 -0.04 0.05 -0.04 1.21 1.26 3hl7A1 ILE 333 HG23 0.08 0.05 -0.17 -0.04 0.93 0.86 3hl7A1 ILE 333 HD13 0.04 0.03 -0.16 -0.04 0.88 0.75 3hl7A1 ASP 334 H -0.01 0.07 -0.16 -0.55 8.40 7.75 3hl7A1 ASP 334 HA -0.07 0.15 0.35 -0.75 4.63 4.30 3hl7A1 ASP 334 HB2 -0.05 -0.06 0.05 -0.04 2.71 2.61 3hl7A1 ASP 334 HB3 -0.06 0.06 -0.04 -0.04 2.70 2.61 3hl7A1 GLU 335 H -0.11 0.04 -0.34 -0.55 8.60 7.63 3hl7A1 GLU 335 HA -0.15 0.09 0.55 -0.75 4.29 4.02 3hl7A1 GLU 335 HB2 -0.39 0.03 0.14 -0.04 2.09 1.83 3hl7A1 GLU 335 HB3 -0.40 0.07 0.01 -0.04 1.99 1.63 3hl7A1 GLU 335 HG2 -0.16 0.08 0.02 -0.04 2.34 2.24 3hl7A1 GLU 335 HG3 -0.14 -0.10 0.02 -0.04 2.34 2.08 3hl7A1 TRP 336 H -0.11 0.51 -0.08 -0.55 7.97 7.75 3hl7A1 TRP 336 HA -0.19 0.04 0.35 -0.75 4.62 4.07 3hl7A1 TRP 336 HB2 0.03 0.04 0.06 -0.04 3.23 3.32 3hl7A1 TRP 336 HB3 0.06 0.09 -0.24 -0.04 3.23 3.10 3hl7A1 TRP 336 HD1 0.02 -0.07 -0.21 -0.04 7.22 6.91 3hl7A1 TRP 336 HE1 0.02 -0.03 0.02 -0.04 10.20 10.17 3hl7A1 TRP 336 HE3 -0.49 -0.02 -0.01 -0.04 7.59 7.04 3hl7A1 TRP 336 HZ2 0.07 0.25 -0.05 -0.04 7.44 7.67 3hl7A1 TRP 336 HZ3 -0.21 -0.01 -0.05 -0.04 7.13 6.81 3hl7A1 TRP 336 HH2 0.29 0.25 0.01 -0.04 7.19 7.70 3hl7A1 LYS 337 H 0.07 0.60 -0.19 -0.55 8.42 8.35 3hl7A1 LYS 337 HA -0.13 0.05 0.40 -0.75 4.32 3.88 3hl7A1 LYS 337 HB2 -0.47 0.00 0.05 -0.04 1.87 1.42 3hl7A1 LYS 337 HB3 -0.19 0.02 0.13 -0.04 1.79 1.71 3hl7A1 LYS 337 HG2 -0.20 -0.01 -0.17 -0.04 1.46 1.04 3hl7A1 LYS 337 HG3 -1.13 -0.04 -0.02 -0.04 1.46 0.24 3hl7A1 LYS 337 HD2 -0.92 -0.01 0.00 -0.04 1.69 0.72 3hl7A1 LYS 337 HD3 -0.35 -0.11 -0.03 -0.04 1.68 1.15 3hl7A1 LYS 337 HE2 -0.17 -0.12 -0.00 -0.04 2.99 2.66 3hl7A1 LYS 337 HE3 -0.20 0.08 0.09 -0.04 2.99 2.91 3hl7A1 SER 338 H -0.03 0.52 -0.14 -0.55 8.46 8.26 3hl7A1 SER 338 HA 0.07 0.00 0.47 -0.75 4.49 4.29 3hl7A1 SER 338 HB2 -0.04 0.04 0.14 -0.04 3.95 4.05 3hl7A1 SER 338 HB3 -0.04 0.05 0.17 -0.04 3.93 4.07 3hl7A1 LEU 339 H -0.02 0.60 -0.10 -0.55 8.37 8.30 3hl7A1 LEU 339 HA 0.03 0.01 0.45 -0.75 4.35 4.09 3hl7A1 LEU 339 HB2 -0.24 0.12 0.14 -0.04 1.64 1.62 3hl7A1 LEU 339 HB3 -0.36 -0.01 -0.02 -0.04 1.64 1.21 3hl7A1 LEU 339 HG -0.21 0.09 0.05 -0.04 1.64 1.53 3hl7A1 LEU 339 HD13 -0.55 -0.03 -0.11 -0.04 0.93 0.20 3hl7A1 LEU 339 HD23 -0.10 -0.01 -0.01 -0.04 0.89 0.73 3hl7A1 THR 340 H 0.26 0.51 -0.23 -0.55 8.28 8.27 3hl7A1 THR 340 HA 0.41 0.04 0.40 -0.75 4.39 4.49 3hl7A1 THR 340 HB 0.62 0.12 0.09 -0.04 4.32 5.10 3hl7A1 THR 340 HG23 0.47 -0.02 -0.17 -0.04 1.22 1.47 3hl7A1 TYR 341 H 0.29 0.50 -0.16 -0.55 8.29 8.37 3hl7A1 TYR 341 HA -0.49 0.02 0.37 -0.75 4.56 3.71 3hl7A1 TYR 341 HB2 -0.25 0.08 0.12 -0.04 3.06 2.97 3hl7A1 TYR 341 HB3 -0.11 0.08 0.18 -0.04 2.98 3.08 3hl7A1 TYR 341 HD2 -0.95 0.02 -0.06 -0.04 7.15 6.12 3hl7A1 TYR 341 HE2 -0.17 0.03 -0.14 -0.04 6.85 6.52 3hl7A1 ASP 342 H 0.09 0.58 -0.12 -0.55 8.40 8.40 3hl7A1 ASP 342 HA -0.11 -0.01 0.42 -0.75 4.63 4.18 3hl7A1 ASP 342 HB2 0.06 0.13 0.10 -0.04 2.71 2.96 3hl7A1 ASP 342 HB3 0.02 -0.03 0.02 -0.04 2.70 2.67 3hl7A1 GLU 343 H 0.10 0.42 -0.28 -0.55 8.60 8.30 3hl7A1 GLU 343 HA 0.07 0.04 0.50 -0.75 4.29 4.15 3hl7A1 GLU 343 HB2 0.13 0.08 0.11 -0.04 2.09 2.38 3hl7A1 GLU 343 HB3 0.07 -0.01 -0.05 -0.04 1.99 1.96 3hl7A1 GLU 343 HG2 0.22 0.14 0.04 -0.04 2.34 2.70 3hl7A1 GLU 343 HG3 0.10 -0.06 -0.04 -0.04 2.34 2.30 3hl7A1 VAL 344 H -0.04 0.41 -0.21 -0.55 8.24 7.84 3hl7A1 VAL 344 HA 0.01 0.05 0.48 -0.75 4.13 3.92 3hl7A1 VAL 344 HB -0.29 0.11 0.15 -0.04 2.12 2.04 3hl7A1 VAL 344 HG13 -0.02 -0.01 -0.20 -0.04 0.97 0.70 3hl7A1 VAL 344 HG23 0.07 0.05 -0.06 -0.04 0.95 0.97 3hl7A1 ILE 345 H -0.24 0.44 -0.05 -0.55 8.25 7.85 3hl7A1 ILE 345 HA -0.09 0.05 0.39 -0.75 4.18 3.78 3hl7A1 ILE 345 HB -0.18 0.05 0.13 -0.04 1.89 1.84 3hl7A1 ILE 345 HG12 -0.87 0.31 0.08 -0.04 1.49 0.97 3hl7A1 ILE 345 HG13 -0.51 -0.12 -0.03 -0.04 1.21 0.51 3hl7A1 ILE 345 HG23 -0.08 -0.02 -0.05 -0.04 0.93 0.74 3hl7A1 ILE 345 HD13 -0.37 -0.02 -0.05 -0.04 0.88 0.40 3hl7A1 SER 346 H -0.00 0.42 -0.24 -0.55 8.46 8.09 3hl7A1 SER 346 HA 0.01 0.06 0.54 -0.75 4.49 4.35 3hl7A1 SER 346 HB2 0.02 -0.09 0.10 -0.04 3.95 3.94 3hl7A1 SER 346 HB3 0.02 -0.04 0.08 -0.04 3.93 3.95 3hl7A1 PHE 347 H 0.18 0.24 -0.59 -0.55 8.34 7.62 3hl7A1 PHE 347 HA 0.02 -0.04 0.34 -0.75 4.62 4.18 3hl7A1 PHE 347 HB2 0.02 0.05 0.14 -0.04 3.15 3.32 3hl7A1 PHE 347 HB3 0.03 0.09 0.12 -0.04 3.06 3.26 3hl7A1 PHE 347 HD2 0.04 -0.00 -0.08 -0.04 7.28 7.20 3hl7A1 PHE 347 HE2 0.05 0.05 -0.12 -0.04 7.38 7.31 3hl7A1 PHE 347 HZ 0.04 0.14 -0.49 -0.04 7.32 6.96 3hl7A1 VAL 348 H -0.55 0.16 0.18 -0.55 8.24 7.48 3hl7A1 VAL 348 HA -0.29 0.15 0.87 -0.75 4.13 4.10 3hl7A1 VAL 348 HB -0.22 -0.05 0.18 -0.04 2.12 1.99 3hl7A1 VAL 348 HG13 -0.13 0.04 -0.07 -0.04 0.97 0.77 3hl7A1 VAL 348 HG23 -0.09 0.03 -0.03 -0.04 0.95 0.83 3hl7A1 PRO 349 HA -0.29 0.14 0.44 -0.51 4.44 4.22 3hl7A1 PRO 349 HB2 0.02 0.11 0.07 -0.04 2.28 2.44 3hl7A1 PRO 349 HB3 0.18 0.08 0.16 -0.04 2.02 2.40 3hl7A1 PRO 349 HG2 -0.04 -0.01 0.05 -0.04 2.03 1.99 3hl7A1 PRO 349 HG3 0.04 -0.05 0.08 -0.04 2.03 2.06 3hl7A1 PRO 349 HD2 -0.14 0.04 0.21 -0.04 3.68 3.75 3hl7A1 PRO 349 HD3 -0.11 0.16 0.07 -0.04 3.65 3.73 3hl7A1 PRO 350 HA -0.03 0.10 0.48 -0.51 4.44 4.49 3hl7A1 PRO 350 HB2 0.04 0.06 0.01 -0.04 2.28 2.34 3hl7A1 PRO 350 HB3 0.03 -0.01 0.12 -0.04 2.02 2.12 3hl7A1 PRO 350 HG2 0.08 -0.07 0.07 -0.04 2.03 2.07 3hl7A1 PRO 350 HG3 0.09 0.14 0.13 -0.04 2.03 2.35 3hl7A1 PRO 350 HD2 0.07 0.02 0.23 -0.04 3.68 3.96 3hl7A1 PRO 350 HD3 0.16 0.22 0.32 -0.04 3.65 4.30 3hl7A1 PRO 351 HA -0.01 0.15 0.29 -0.51 4.44 4.36 3hl7A1 PRO 351 HB2 -0.00 -0.01 0.07 -0.04 2.28 2.30 3hl7A1 PRO 351 HB3 -0.01 0.03 0.07 -0.04 2.02 2.07 3hl7A1 PRO 351 HG2 0.01 0.01 0.05 -0.04 2.03 2.06 3hl7A1 PRO 351 HG3 -0.00 0.02 0.06 -0.04 2.03 2.07 3hl7A1 PRO 351 HD2 0.01 0.09 0.18 -0.04 3.68 3.91 3hl7A1 PRO 351 HD3 -0.01 0.15 0.15 -0.04 3.65 3.89