============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TRP 12 1.040 6.026 10.417 8.574 -99.200 -91.000 TRP6 12 1.020 4.357 10.328 10.244 -99.200 -91.000 TRP 14 1.040 6.430 4.468 11.157 -99.200 -91.000 TRP6 14 1.020 7.151 5.587 13.102 -99.200 -91.000 HIS 19 0.900 12.078 1.132 -5.276 -99.200 -91.000 HIS 25 0.900 7.213 3.051 -4.092 -99.200 -91.000 TRP 36 1.040 9.700 -11.305 10.183 -99.200 -91.000 TRP6 36 1.020 8.655 -12.654 8.548 -99.200 -91.000 HIS 42 0.900 -2.891 -4.018 -3.164 -99.200 -91.000 TYR 44 0.840 4.339 -7.613 -1.735 -99.200 -91.000 PHE 49 1.000 7.955 -8.991 -11.655 -99.200 -91.000 TYR 51 0.840 4.015 -7.829 -10.393 -99.200 -91.000 TRP 57 1.040 8.795 -8.165 -4.770 -99.200 -91.000 TRP6 57 1.020 7.451 -6.255 -5.103 -99.200 -91.000 PHE 60 1.000 15.816 0.846 -2.233 -99.200 -91.000 HIS 64 0.900 13.083 13.346 2.782 -99.200 -91.000 HIS 85 0.900 -5.028 -14.066 6.242 -99.200 -91.000 PHE 87 1.000 -8.736 -18.785 5.070 -99.200 -91.000 PHE 88 1.000 -5.268 -10.357 -1.635 -99.200 -91.000 PHE 91 1.000 -14.065 -9.004 -8.460 -99.200 -91.000 PHE 93 1.000 -10.579 -4.909 -4.179 -99.200 -91.000 TYR 95 0.840 -9.547 -12.544 5.913 -99.200 -91.000 TYR 108 0.840 15.174 -1.554 15.077 -99.200 -91.000 HIS 122 0.900 -4.997 1.021 20.286 -99.200 -91.000 PHE 124 1.000 -5.674 2.045 16.033 -99.200 -91.000 TRP 131 1.040 -0.503 12.306 11.175 -99.200 -91.000 TRP6 131 1.020 0.013 14.304 10.042 -99.200 -91.000 TRP 135 1.040 8.575 7.904 -1.564 -99.200 -91.000 TRP6 135 1.020 8.847 6.264 0.123 -99.200 -91.000 HIS 137 0.900 0.392 7.753 -9.820 -99.200 -91.000 TYR 140 0.840 -7.768 7.976 -10.286 -99.200 -91.000 PHE 178 1.000 -9.776 14.591 6.628 -99.200 -91.000 PHE 204 1.000 1.163 1.750 20.035 -99.200 -91.000 TRP 211 1.040 -10.147 -1.748 -1.271 -99.200 -91.000 TRP6 211 1.020 -12.325 -1.010 -1.804 -99.200 -91.000 TYR 224 0.840 -6.264 3.759 4.578 -99.200 -91.000 PHE 230 1.000 -5.752 -9.787 9.225 -99.200 -91.000 TRP 233 1.040 -1.518 -14.517 9.501 -99.200 -91.000 TRP6 233 1.020 -0.564 -12.920 8.039 -99.200 -91.000