============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 13 1.000 -16.091 15.354 82.672 -99.200 -91.000 HIS 23 0.900 -10.940 2.405 68.676 -99.200 -91.000 TYR 26 0.840 -22.067 5.889 75.580 -99.200 -91.000 PHE 27 1.000 -14.750 9.276 78.131 -99.200 -91.000 HIS 30 0.900 -17.574 9.188 89.585 -99.200 -91.000 TYR 38 0.840 -4.790 13.497 101.722 -99.200 -91.000 PHE 42 1.000 -9.187 15.432 109.325 -99.200 -91.000 PHE 60 1.000 -17.740 20.413 83.582 -99.200 -91.000 TYR 62 0.840 -21.671 28.421 90.543 -99.200 -91.000 TRP 67 1.040 -18.856 15.353 95.729 -99.200 -91.000 TRP6 67 1.020 -20.353 13.550 95.382 -99.200 -91.000 HIS 77 0.900 -12.909 30.372 105.188 -99.200 -91.000 PHE 89 1.000 -8.962 13.580 87.039 -99.200 -91.000 PHE 90 1.000 -12.052 13.966 79.279 -99.200 -91.000 HIS 94 0.900 -8.729 -1.927 84.902 -99.200 -91.000 TYR 95 0.840 -4.616 0.035 75.749 -99.200 -91.000 TYR 105 0.840 -3.528 15.535 85.241 -99.200 -91.000 TYR 106 0.840 -8.113 18.143 77.552 -99.200 -91.000 TYR 124 0.840 -10.706 28.173 106.963 -99.200 -91.000 HIS 132 0.900 -2.634 16.844 103.019 -99.200 -91.000 TYR 149 0.840 7.232 27.752 99.640 -99.200 -91.000 PHE 152 1.000 2.453 23.171 104.279 -99.200 -91.000 PHE 160 1.000 4.063 18.369 99.938 -99.200 -91.000 TRP 169 1.040 6.164 18.528 89.471 -99.200 -91.000 TRP6 169 1.020 6.464 19.933 91.352 -99.200 -91.000 PHE 185 1.000 7.042 26.528 105.036 -99.200 -91.000 HIS 186 0.900 9.594 18.665 111.773 -99.200 -91.000 PHE 189 1.000 0.053 13.513 110.865 -99.200 -91.000 PHE 213 1.000 11.064 11.475 101.778 -99.200 -91.000 TYR 216 0.840 14.021 17.017 104.545 -99.200 -91.000 TYR 232 0.840 9.265 3.532 107.570 -99.200 -91.000 TYR 233 0.840 4.644 4.858 115.355 -99.200 -91.000 TYR 238 0.840 1.388 -2.093 111.771 -99.200 -91.000 TYR 239 0.840 3.499 -5.025 104.812 -99.200 -91.000 TYR 243 0.840 -7.516 -6.162 103.852 -99.200 -91.000 PHE 261 1.000 -1.397 7.543 109.703 -99.200 -91.000 TYR 265 0.840 -1.668 12.022 115.436 -99.200 -91.000 TYR 266 0.840 -4.911 15.572 114.084 -99.200 -91.000 PHE 269 1.000 -9.043 4.666 115.647 -99.200 -91.000 TYR 277 0.840 -10.073 1.037 112.348 -99.200 -91.000 PHE 304 1.000 -12.188 -4.552 104.361 -99.200 -91.000