============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. HIS 34 0.900 11.333 13.731 0.730 -99.200 -91.000 TRP 42 1.040 34.460 14.927 5.663 -99.200 -91.000 TRP6 42 1.020 34.974 15.283 7.932 -99.200 -91.000 HIS 76 0.900 5.067 -3.806 -14.346 -99.200 -91.000 TRP 77 1.040 12.329 -5.307 -10.754 -99.200 -91.000 TRP6 77 1.020 13.742 -7.039 -9.981 -99.200 -91.000 TRP 86 1.040 17.561 -14.618 -14.776 -99.200 -91.000 TRP6 86 1.020 19.195 -13.144 -13.952 -99.200 -91.000 TRP 87 1.040 11.226 -11.119 -15.508 -99.200 -91.000 TRP6 87 1.020 9.774 -10.180 -17.111 -99.200 -91.000 PHE 97 1.000 8.928 -4.014 4.235 -99.200 -91.000 HIS 100 0.900 12.113 -7.004 11.909 -99.200 -91.000 PHE 113 1.000 14.389 8.716 10.802 -99.200 -91.000 TYR 116 0.840 19.275 7.477 16.413 -99.200 -91.000 HIS 124 0.900 3.110 -0.747 0.188 -99.200 -91.000 PHE 129 1.000 6.033 7.408 3.149 -99.200 -91.000 TRP 132 1.040 13.106 9.736 17.056 -99.200 -91.000 TRP6 132 1.020 13.185 12.033 17.560 -99.200 -91.000 HIS 135 0.900 1.468 13.873 16.426 -99.200 -91.000 TYR 158 0.840 -3.753 17.784 3.021 -99.200 -91.000 TYR 163 0.840 6.202 23.625 8.456 -99.200 -91.000 TYR 171 0.840 9.915 21.735 -5.458 -99.200 -91.000 TRP 204 1.040 4.235 -12.462 -6.167 -99.200 -91.000 TRP6 204 1.020 6.181 -11.192 -5.883 -99.200 -91.000 PHE 207 1.000 0.827 -4.363 -3.700 -99.200 -91.000 TYR 211 0.840 2.193 6.584 -6.556 -99.200 -91.000 PHE 216 1.000 6.030 13.975 -8.070 -99.200 -91.000 PHE 223 1.000 4.334 25.673 -3.245 -99.200 -91.000 PHE 248 1.000 0.832 25.378 -7.615 -99.200 -91.000 TRP 252 1.040 0.936 22.316 -12.617 -99.200 -91.000 TRP6 252 1.020 1.528 20.385 -13.806 -99.200 -91.000 PHE 253 1.000 -0.381 16.103 -11.305 -99.200 -91.000