============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 27 0.900 -6.325 11.114 -2.002 -99.200 -91.000 TYR 31 0.840 -6.411 3.806 -8.897 -99.200 -91.000 TRP 32 1.040 -13.381 0.185 -9.508 -99.200 -91.000 TRP6 32 1.020 -12.864 -2.133 -9.827 -99.200 -91.000 TYR 33 0.840 -5.129 -2.061 -12.838 -99.200 -91.000 HIS 39 0.900 2.349 -7.966 -19.247 -99.200 -91.000 HIS 45 0.900 -16.549 3.795 -15.118 -99.200 -91.000 TYR 46 0.840 -11.289 8.531 -14.897 -99.200 -91.000 TYR 48 0.840 -12.145 14.581 -10.011 -99.200 -91.000 TYR 62 0.840 -16.819 -1.140 -17.668 -99.200 -91.000 PHE 72 1.000 -16.262 3.876 -8.940 -99.200 -91.000 TYR 87 0.840 -13.375 -6.319 -14.178 -99.200 -91.000 PHE 88 1.000 -5.901 -6.090 -8.180 -99.200 -91.000 PHE 100 1.000 -4.023 4.571 1.575 -99.200 -91.000 PHE 101 1.000 -3.640 -0.846 -6.692 -99.200 -91.000 TYR 114 0.840 -15.948 -22.347 -32.379 -99.200 -91.000 TRP 150 1.040 22.017 -14.299 -11.232 -99.200 -91.000 TRP6 150 1.020 21.848 -16.689 -11.206 -99.200 -91.000 TYR 161 0.840 9.746 9.405 -23.001 -99.200 -91.000 PHE 166 1.000 6.938 13.044 -21.609 -99.200 -91.000 TYR 168 0.840 6.337 15.070 -11.254 -99.200 -91.000 PHE 169 1.000 8.051 10.853 -16.913 -99.200 -91.000 TRP 171 1.040 9.595 4.316 -12.504 -99.200 -91.000 TRP6 171 1.020 11.128 2.483 -12.686 -99.200 -91.000 TYR 172 0.840 0.807 3.679 -8.429 -99.200 -91.000 PHE 175 1.000 4.131 -5.774 -3.717 -99.200 -91.000 PHE 198 1.000 13.553 3.232 -5.658 -99.200 -91.000 PHE 201 1.000 21.091 5.728 -17.976 -99.200 -91.000 PHE 202 1.000 17.773 12.278 -19.933 -99.200 -91.000 HIS 212 0.900 21.472 0.887 -12.366 -99.200 -91.000 TYR 224 0.840 11.103 -2.620 -9.680 -99.200 -91.000 PHE 225 1.000 2.640 -3.370 -13.052 -99.200 -91.000 PHE 232 1.000 -7.399 18.592 -14.494 -99.200 -91.000 PHE 237 1.000 -0.583 3.585 -13.501 -99.200 -91.000 TYR 248 0.840 18.296 -25.116 -1.937 -99.200 -91.000