============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 22 1.040 3.862 36.120 29.321 -99.200 -91.000 TRP6 22 1.020 2.595 37.921 28.514 -99.200 -91.000 TRP 30 1.040 3.566 29.662 18.808 -99.200 -91.000 TRP6 30 1.020 2.244 28.342 17.383 -99.200 -91.000 PHE 31 1.000 10.227 34.027 18.846 -99.200 -91.000 HIS 45 0.900 13.782 51.078 21.822 -99.200 -91.000 TRP 47 1.040 20.445 44.310 19.149 -99.200 -91.000 TRP6 47 1.020 21.233 42.033 19.148 -99.200 -91.000 TRP 74 1.040 23.549 46.377 13.365 -99.200 -91.000 TRP6 74 1.020 22.311 47.134 15.220 -99.200 -91.000 TYR 100 0.840 4.860 42.773 16.372 -99.200 -91.000 PHE 103 1.000 8.850 44.828 8.155 -99.200 -91.000 TYR 111 0.840 3.503 31.795 12.019 -99.200 -91.000 HIS 114 0.900 -4.988 35.463 20.334 -99.200 -91.000 HIS 124 0.900 -2.589 49.055 23.674 -99.200 -91.000 PHE 125 1.000 -0.199 42.257 16.326 -99.200 -91.000 TYR 128 0.840 -5.902 40.253 14.804 -99.200 -91.000 TRP 133 1.040 -5.878 39.788 9.083 -99.200 -91.000 TRP6 133 1.020 -3.687 39.073 8.386 -99.200 -91.000 PHE 137 1.000 -2.560 25.173 15.206 -99.200 -91.000 PHE 140 1.000 -7.335 27.276 26.843 -99.200 -91.000 HIS 141 0.900 -1.551 24.221 24.635 -99.200 -91.000 HIS 149 0.900 -0.322 34.538 33.886 -99.200 -91.000 TYR 151 0.840 -0.016 28.355 26.741 -99.200 -91.000 PHE 153 1.000 1.186 27.986 21.672 -99.200 -91.000