============================================================================= 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 4 1.000 12.371 20.271 33.285 -99.200 -91.000 PHE 6 1.000 12.546 18.536 23.624 -99.200 -91.000 PHE 21 1.000 10.600 19.287 -0.440 -99.200 -91.000 TYR 22 0.840 7.279 13.196 4.756 -99.200 -91.000 PHE 28 1.000 -1.029 17.218 11.697 -99.200 -91.000 TYR 45 0.840 -5.030 -4.257 31.330 -99.200 -91.000 HIS 61 0.900 -14.863 12.338 24.668 -99.200 -91.000 PHE 102 1.000 11.864 8.318 11.946 -99.200 -91.000 PHE 118 1.000 11.298 3.200 13.022 -99.200 -91.000 PHE 122 1.000 4.547 15.184 21.377 -99.200 -91.000 TYR 123 0.840 9.456 13.930 20.294 -99.200 -91.000 TYR 126 0.840 7.693 20.235 17.775 -99.200 -91.000 HIS 138 0.900 -1.526 8.881 35.753 -99.200 -91.000 TYR 144 0.840 2.425 18.173 36.579 -99.200 -91.000 TRP 146 1.040 6.603 18.758 27.154 -99.200 -91.000 TRP6 146 1.020 6.504 19.176 24.824 -99.200 -91.000 PHE 154 1.000 11.289 19.040 28.300 -99.200 -91.000 HIS 173 0.900 0.206 27.239 20.317 -99.200 -91.000 TYR 181 0.840 -2.277 19.925 7.548 -99.200 -91.000 HIS 194 0.900 -3.220 9.014 6.296 -99.200 -91.000 PHE 197 1.000 -11.685 0.553 9.158 -99.200 -91.000 TYR 200 0.840 -10.955 4.203 22.596 -99.200 -91.000 PHE 205 1.000 -15.447 20.063 19.677 -99.200 -91.000