============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. HIS 11 0.900 -5.302 47.938 23.503 -99.200 -91.000 TYR 13 0.840 -1.551 45.854 12.983 -99.200 -91.000 TYR 16 0.840 3.381 49.634 14.986 -99.200 -91.000 PHE 20 1.000 4.720 53.929 17.109 -99.200 -91.000 PHE 41 1.000 15.662 64.992 -4.584 -99.200 -91.000 TYR 44 0.840 23.253 61.367 -5.820 -99.200 -91.000 PHE 62 1.000 23.873 64.580 16.140 -99.200 -91.000 PHE 67 1.000 11.500 68.051 14.225 -99.200 -91.000 TYR 79 0.840 2.513 50.818 21.068 -99.200 -91.000 PHE 86 1.000 3.865 53.269 30.402 -99.200 -91.000 TYR 100 0.840 17.249 53.942 32.132 -99.200 -91.000 HIS 103 0.900 17.992 57.039 21.906 -99.200 -91.000 TYR 107 0.840 18.748 54.140 18.000 -99.200 -91.000 PHE 127 1.000 16.902 55.182 0.434 -99.200 -91.000 PHE 132 1.000 24.620 63.431 2.188 -99.200 -91.000 PHE 140 1.000 28.423 65.931 13.734 -99.200 -91.000 PHE 143 1.000 24.032 60.446 12.365 -99.200 -91.000 PHE 148 1.000 21.936 52.988 7.044 -99.200 -91.000 PHE 150 1.000 18.476 46.428 15.423 -99.200 -91.000 PHE 154 1.000 14.068 43.989 14.597 -99.200 -91.000 PHE 167 1.000 11.303 43.374 19.689 -99.200 -91.000 HIS 205 0.900 6.435 36.066 10.842 -99.200 -91.000 PHE 212 1.000 8.723 34.385 22.690 -99.200 -91.000 HIS 229 0.900 22.683 58.261 19.363 -99.200 -91.000 HIS 246 0.900 12.871 68.996 21.950 -99.200 -91.000 TYR 253 0.840 20.148 61.315 24.012 -99.200 -91.000