============================================================================= 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. PHE 9 1.000 -10.682 15.309 34.068 -99.200 -91.000 PHE 12 1.000 -15.138 15.858 40.043 -99.200 -91.000 PHE 54 1.000 -25.334 6.558 39.949 -99.200 -91.000 PHE 58 1.000 -28.480 8.993 37.085 -99.200 -91.000 PHE 74 1.000 -13.666 -3.820 36.840 -99.200 -91.000 TYR 88 0.840 -8.240 0.888 51.267 -99.200 -91.000 TYR 91 0.840 -13.151 -2.066 54.275 -99.200 -91.000 HIS 95 0.900 -13.806 -5.613 56.730 -99.200 -91.000 TYR 126 0.840 -10.559 0.032 64.487 -99.200 -91.000 TYR 130 0.840 -14.806 -0.199 61.564 -99.200 -91.000 TYR 145 0.840 9.514 -10.402 73.847 -99.200 -91.000 TYR 146 0.840 2.722 -9.012 65.168 -99.200 -91.000 PHE 177 1.000 28.414 -6.389 67.320 -99.200 -91.000 TRP 184 1.040 22.833 -18.885 75.088 -99.200 -91.000 TRP6 184 1.020 21.082 -19.267 76.639 -99.200 -91.000 PHE 191 1.000 17.702 -6.526 68.039 -99.200 -91.000 HIS 202 0.900 19.743 8.263 66.786 -99.200 -91.000 PHE 207 1.000 18.185 0.915 60.530 -99.200 -91.000 TYR 210 0.840 23.988 -4.224 63.894 -99.200 -91.000 PHE 216 1.000 26.583 -10.785 61.035 -99.200 -91.000 TYR 247 0.840 7.244 -2.823 54.469 -99.200 -91.000 TYR 253 0.840 10.114 -9.593 43.351 -99.200 -91.000 TYR 254 0.840 9.716 -11.185 48.411 -99.200 -91.000 HIS 264 0.900 -6.645 -8.518 51.844 -99.200 -91.000 PHE 279 1.000 7.390 9.202 39.613 -99.200 -91.000 PHE 285 1.000 8.134 -3.997 41.363 -99.200 -91.000 PHE 289 1.000 11.908 -6.164 44.080 -99.200 -91.000 TYR 294 0.840 1.790 -0.902 32.296 -99.200 -91.000 TYR 305 0.840 -7.284 -7.714 39.861 -99.200 -91.000