============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 12 1.000 -0.228 30.474 37.701 -99.200 -91.000 PHE 14 1.000 -0.213 39.874 40.697 -99.200 -91.000 PHE 29 1.000 3.057 62.863 44.748 -99.200 -91.000 TYR 30 0.840 3.678 56.033 47.923 -99.200 -91.000 PHE 36 1.000 11.941 52.982 38.335 -99.200 -91.000 TYR 53 0.840 28.205 34.733 47.255 -99.200 -91.000 HIS 69 0.900 26.518 41.994 31.758 -99.200 -91.000 PHE 109 1.000 5.559 48.028 52.959 -99.200 -91.000 PHE 125 1.000 8.467 46.264 55.858 -99.200 -91.000 PHE 129 1.000 8.427 42.401 39.939 -99.200 -91.000 TYR 130 0.840 4.865 42.334 43.786 -99.200 -91.000 TYR 133 0.840 3.120 46.502 38.325 -99.200 -91.000 HIS 145 0.900 17.518 28.160 37.911 -99.200 -91.000 TYR 151 0.840 9.420 28.687 32.241 -99.200 -91.000 TRP 153 1.040 5.021 37.374 36.625 -99.200 -91.000 TRP6 153 1.020 4.772 39.719 36.771 -99.200 -91.000 PHE 161 1.000 1.239 35.585 38.438 -99.200 -91.000 HIS 180 0.900 5.652 47.264 27.923 -99.200 -91.000 TYR 188 0.840 11.695 57.816 36.900 -99.200 -91.000 HIS 201 0.900 18.059 56.425 45.741 -99.200 -91.000 PHE 204 1.000 28.018 52.349 49.485 -99.200 -91.000 TYR 207 0.840 27.370 41.309 41.006 -99.200 -91.000 PHE 212 1.000 24.586 48.298 26.531 -99.200 -91.000