============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 19 0.900 20.838 132.250 70.331 -99.200 -91.000 HIS 23 0.900 20.471 137.554 72.968 -99.200 -91.000 HIS 26 0.900 24.403 138.064 77.537 -99.200 -91.000 TRP 27 1.040 20.039 140.988 76.097 -99.200 -91.000 TRP6 27 1.020 18.418 140.397 74.469 -99.200 -91.000 TYR 28 0.840 14.858 141.347 80.707 -99.200 -91.000 PHE 34 1.000 25.784 140.913 84.878 -99.200 -91.000 TRP 37 1.040 27.080 131.706 86.952 -99.200 -91.000 TRP6 37 1.020 27.187 129.600 85.862 -99.200 -91.000 HIS 38 0.900 25.924 139.765 80.602 -99.200 -91.000 TYR 44 0.840 26.042 127.605 79.528 -99.200 -91.000 TYR 51 0.840 24.374 121.799 71.393 -99.200 -91.000 PHE 67 1.000 9.410 123.334 61.976 -99.200 -91.000 PHE 73 1.000 13.033 129.347 63.998 -99.200 -91.000 TYR 86 0.840 16.182 144.336 83.679 -99.200 -91.000 PHE 101 1.000 21.824 124.612 78.651 -99.200 -91.000 TYR 103 0.840 12.163 120.142 75.107 -99.200 -91.000 PHE 108 1.000 20.252 118.271 71.725 -99.200 -91.000 PHE 112 1.000 22.207 107.327 70.562 -99.200 -91.000 PHE 127 1.000 19.251 114.452 66.910 -99.200 -91.000 HIS 137 0.900 27.885 123.466 78.492 -99.200 -91.000 TRP 139 1.040 29.543 118.173 86.940 -99.200 -91.000 TRP6 139 1.020 31.559 118.467 85.723 -99.200 -91.000