============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 6 1.000 -4.966 32.013 34.550 -99.200 -91.000 PHE 22 1.000 13.147 23.133 27.736 -99.200 -91.000 TYR 28 0.840 11.579 10.757 27.432 -99.200 -91.000 TYR 30 0.840 5.587 13.458 29.556 -99.200 -91.000 TYR 35 0.840 -0.281 15.929 28.392 -99.200 -91.000 TRP 37 1.040 -7.490 24.220 26.206 -99.200 -91.000 TRP6 37 1.020 -6.201 25.911 27.315 -99.200 -91.000 HIS 40 0.900 -5.309 24.984 32.968 -99.200 -91.000 TYR 43 0.840 -8.127 25.294 38.314 -99.200 -91.000 TYR 47 0.840 -13.757 25.215 40.967 -99.200 -91.000 PHE 56 1.000 -3.123 30.048 48.394 -99.200 -91.000 PHE 64 1.000 3.522 9.587 39.833 -99.200 -91.000 PHE 73 1.000 0.636 23.020 44.444 -99.200 -91.000 HIS 78 0.900 -7.537 15.381 48.070 -99.200 -91.000 TRP 82 1.040 -13.517 20.069 48.222 -99.200 -91.000 TRP6 82 1.020 -12.077 21.923 48.059 -99.200 -91.000 HIS 96 0.900 11.252 7.140 30.861 -99.200 -91.000 PHE 104 1.000 -9.315 14.011 35.447 -99.200 -91.000 PHE 116 1.000 -2.604 24.161 46.980 -99.200 -91.000 TRP 117 1.040 -5.956 20.778 44.992 -99.200 -91.000 TRP6 117 1.020 -6.865 23.007 44.782 -99.200 -91.000 PHE 120 1.000 -5.495 26.233 50.520 -99.200 -91.000 PHE 130 1.000 -8.240 27.924 47.311 -99.200 -91.000 PHE 131 1.000 -10.743 27.187 43.264 -99.200 -91.000 HIS 133 0.900 -13.234 37.214 48.285 -99.200 -91.000 PHE 135 1.000 -7.486 30.303 38.986 -99.200 -91.000 HIS 137 0.900 -0.738 30.127 36.439 -99.200 -91.000 HIS 139 0.900 7.928 31.118 37.147 -99.200 -91.000 PHE 144 1.000 11.172 21.286 31.812 -99.200 -91.000 HIS 147 0.900 19.449 8.457 32.156 -99.200 -91.000 PHE 191 1.000 11.475 28.460 40.889 -99.200 -91.000 HIS 214 0.900 6.197 22.397 46.820 -99.200 -91.000 TRP 226 1.040 2.802 21.664 53.763 -99.200 -91.000 TRP6 226 1.020 0.585 21.855 52.993 -99.200 -91.000