============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 27 1.000 27.352 56.090 3.502 -99.200 -91.000 TYR 30 0.840 18.504 62.597 7.419 -99.200 -91.000 TYR 32 0.840 24.172 54.013 7.113 -99.200 -91.000 HIS 35 0.900 31.832 57.469 14.824 -99.200 -91.000 TRP 36 1.040 35.684 63.981 10.904 -99.200 -91.000 TRP6 36 1.020 36.880 63.901 8.869 -99.200 -91.000 TRP 47 1.040 35.033 59.217 18.206 -99.200 -91.000 TRP6 47 1.020 34.260 60.647 19.924 -99.200 -91.000 TYR 54 0.840 20.464 58.743 13.017 -99.200 -91.000 TYR 60 0.840 32.491 68.267 18.710 -99.200 -91.000 PHE 68 1.000 40.204 69.371 16.274 -99.200 -91.000 TYR 80 0.840 31.871 69.867 4.527 -99.200 -91.000 TYR 94 0.840 43.191 64.764 12.581 -99.200 -91.000 TYR 95 0.840 43.179 56.532 8.558 -99.200 -91.000 TYR 101 0.840 21.726 52.862 16.398 -99.200 -91.000 TYR 103 0.840 27.107 46.081 8.439 -99.200 -91.000 TYR 104 0.840 23.997 43.600 16.119 -99.200 -91.000 TYR 108 0.840 31.685 50.355 3.233 -99.200 -91.000 TRP 109 1.040 37.342 52.351 9.220 -99.200 -91.000 TRP6 109 1.020 38.265 53.213 11.201 -99.200 -91.000 PHE 128 1.000 70.694 64.634 -4.894 -99.200 -91.000 TYR 151 0.840 60.357 64.163 2.027 -99.200 -91.000 PHE 152 1.000 58.006 69.662 7.928 -99.200 -91.000 TRP 160 1.040 61.119 52.743 -8.698 -99.200 -91.000 TRP6 160 1.020 63.227 53.492 -9.407 -99.200 -91.000 HIS 170 0.900 61.774 45.658 -0.750 -99.200 -91.000 PHE 172 1.000 64.579 50.820 2.147 -99.200 -91.000 TYR 182 0.840 59.460 63.841 7.902 -99.200 -91.000 TYR 200 0.840 65.195 49.338 -15.114 -99.200 -91.000 HIS 206 0.900 57.138 67.377 -0.517 -99.200 -91.000