============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 13 1.040 14.205 44.132 22.985 -99.200 -91.000 TRP6 13 1.020 16.159 44.147 21.643 -99.200 -91.000 TRP 15 1.040 15.175 33.181 21.931 -99.200 -91.000 TRP6 15 1.020 15.045 31.095 20.831 -99.200 -91.000 PHE 28 1.000 8.066 51.015 12.311 -99.200 -91.000 TYR 34 0.840 16.399 46.413 6.944 -99.200 -91.000 TRP 45 1.040 26.777 43.610 16.667 -99.200 -91.000 TRP6 45 1.020 26.534 41.838 18.200 -99.200 -91.000 HIS 46 0.900 20.863 51.218 13.986 -99.200 -91.000 PHE 72 1.000 13.451 42.269 -3.850 -99.200 -91.000 HIS 75 0.900 9.888 37.195 1.329 -99.200 -91.000 HIS 89 0.900 2.688 30.957 14.040 -99.200 -91.000 PHE 95 1.000 15.602 34.264 10.225 -99.200 -91.000 PHE 117 1.000 14.542 38.252 -0.891 -99.200 -91.000 TYR 118 0.840 19.799 32.759 -1.475 -99.200 -91.000 TRP 119 1.040 17.921 41.804 3.726 -99.200 -91.000 TRP6 119 1.020 17.994 43.294 1.900 -99.200 -91.000 PHE 121 1.000 17.713 41.625 8.108 -99.200 -91.000 HIS 122 0.900 26.120 43.620 4.749 -99.200 -91.000 HIS 133 0.900 15.604 51.176 20.385 -99.200 -91.000 HIS 155 0.900 0.577 45.131 55.112 -99.200 -91.000 TYR 163 0.840 -15.477 37.912 58.274 -99.200 -91.000 PHE 180 1.000 3.065 40.821 52.326 -99.200 -91.000 PHE 185 1.000 7.057 38.461 48.825 -99.200 -91.000 PHE 189 1.000 11.393 36.575 44.934 -99.200 -91.000 PHE 205 1.000 13.460 41.868 27.689 -99.200 -91.000 TYR 212 0.840 11.275 47.130 25.296 -99.200 -91.000