============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 29 0.840 14.063 17.459 39.269 -99.200 -91.000 PHE 37 1.000 20.620 9.036 40.690 -99.200 -91.000 TYR 58 0.840 9.082 14.107 56.549 -99.200 -91.000 PHE 61 1.000 10.824 3.647 49.777 -99.200 -91.000 PHE 67 1.000 23.368 2.581 53.068 -99.200 -91.000 HIS 72 0.900 6.645 15.358 52.645 -99.200 -91.000 TYR 79 0.840 7.386 6.391 45.908 -99.200 -91.000 HIS 91 0.900 4.555 15.886 34.495 -99.200 -91.000 HIS 93 0.900 10.180 14.140 38.231 -99.200 -91.000 PHE 98 1.000 12.504 -3.227 43.481 -99.200 -91.000 TYR 105 0.840 8.414 10.812 43.805 -99.200 -91.000 PHE 111 1.000 5.989 22.167 44.667 -99.200 -91.000 TRP 114 1.040 13.215 9.273 46.756 -99.200 -91.000 TRP6 114 1.020 14.222 7.534 45.506 -99.200 -91.000 TYR 125 0.840 14.902 13.734 58.095 -99.200 -91.000 PHE 126 1.000 11.202 11.397 60.420 -99.200 -91.000 TYR 137 0.840 -8.329 7.018 70.752 -99.200 -91.000 PHE 140 1.000 -3.293 14.385 69.496 -99.200 -91.000 PHE 145 1.000 -4.686 18.817 70.627 -99.200 -91.000 TYR 159 0.840 -0.149 25.597 67.755 -99.200 -91.000 TYR 173 0.840 -7.678 12.990 55.372 -99.200 -91.000 TRP 179 1.040 -18.863 19.724 59.080 -99.200 -91.000 TRP6 179 1.020 -19.569 17.486 59.385 -99.200 -91.000 HIS 184 0.900 -14.499 30.253 61.650 -99.200 -91.000 HIS 198 0.900 -12.438 13.904 75.418 -99.200 -91.000 HIS 201 0.900 -6.785 13.114 72.148 -99.200 -91.000 TYR 234 0.840 -10.097 19.647 50.131 -99.200 -91.000 HIS 259 0.900 -12.788 23.623 51.007 -99.200 -91.000 PHE 260 1.000 -16.538 28.671 57.378 -99.200 -91.000