============================================================================= 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. PHE 7 1.000 24.520 -0.381 15.259 -99.200 -91.000 PHE 13 1.000 25.085 7.400 7.169 -99.200 -91.000 PHE 16 1.000 19.628 2.939 -2.064 -99.200 -91.000 PHE 26 1.000 11.009 14.292 -2.627 -99.200 -91.000 PHE 36 1.000 32.764 2.832 20.234 -99.200 -91.000 HIS 38 0.900 28.920 4.564 15.844 -99.200 -91.000 PHE 41 1.000 25.092 10.481 11.972 -99.200 -91.000 HIS 44 0.900 29.335 13.737 2.305 -99.200 -91.000 TRP 56 1.040 17.977 19.805 -0.969 -99.200 -91.000 TRP6 56 1.020 18.534 17.483 -0.887 -99.200 -91.000 HIS 61 0.900 11.942 14.394 9.180 -99.200 -91.000 PHE 66 1.000 20.600 3.157 12.282 -99.200 -91.000 PHE 67 1.000 25.404 4.839 12.094 -99.200 -91.000 TYR 70 0.840 20.381 6.192 23.230 -99.200 -91.000 HIS 76 0.900 21.719 3.748 20.516 -99.200 -91.000 PHE 77 1.000 13.302 -0.024 19.849 -99.200 -91.000 PHE 82 1.000 19.900 -2.394 12.884 -99.200 -91.000 PHE 94 1.000 7.247 20.860 8.440 -99.200 -91.000 HIS 103 0.900 4.565 4.696 6.451 -99.200 -91.000 HIS 104 0.900 12.149 6.943 8.158 -99.200 -91.000 TYR 106 0.840 16.262 3.166 9.407 -99.200 -91.000 PHE 124 1.000 4.690 19.847 3.081 -99.200 -91.000 HIS 144 0.900 10.568 15.907 25.258 -99.200 -91.000 PHE 146 1.000 7.604 10.532 26.107 -99.200 -91.000 HIS 148 0.900 3.639 3.643 21.043 -99.200 -91.000 PHE 158 1.000 6.872 20.474 20.910 -99.200 -91.000 PHE 161 1.000 12.762 22.581 9.671 -99.200 -91.000 HIS 172 0.900 2.982 20.798 16.473 -99.200 -91.000 PHE 173 1.000 10.602 13.361 14.489 -99.200 -91.000 PHE 179 1.000 13.585 -6.882 17.675 -99.200 -91.000 HIS 191 0.900 15.756 7.537 25.894 -99.200 -91.000 PHE 192 1.000 14.020 14.477 28.257 -99.200 -91.000 HIS 209 0.900 25.659 16.436 -6.352 -99.200 -91.000 TYR 217 0.840 24.226 15.454 23.523 -99.200 -91.000 HIS 219 0.900 19.392 15.165 27.793 -99.200 -91.000