============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 16 0.900 37.208 25.601 5.895 -99.200 -91.000 TYR 30 0.840 47.544 3.701 0.865 -99.200 -91.000 TYR 36 0.840 37.375 3.113 9.340 -99.200 -91.000 TYR 37 0.840 44.696 5.412 10.058 -99.200 -91.000 PHE 62 1.000 33.335 12.201 12.694 -99.200 -91.000 TRP 72 1.040 33.116 -2.505 12.245 -99.200 -91.000 TRP6 72 1.020 34.022 -0.341 12.056 -99.200 -91.000 TYR 78 0.840 27.689 8.281 16.653 -99.200 -91.000 PHE 91 1.000 37.566 14.570 30.062 -99.200 -91.000 PHE 97 1.000 30.181 7.059 26.746 -99.200 -91.000 TYR 112 0.840 48.722 7.881 19.439 -99.200 -91.000 TYR 113 0.840 54.024 1.151 12.459 -99.200 -91.000 HIS 115 0.900 56.769 -5.136 19.547 -99.200 -91.000 PHE 117 1.000 49.176 2.508 20.647 -99.200 -91.000 HIS 118 0.900 49.772 -5.751 21.515 -99.200 -91.000 PHE 134 1.000 50.335 6.566 27.077 -99.200 -91.000 TYR 136 0.840 56.603 10.385 19.371 -99.200 -91.000 HIS 137 0.900 63.081 14.690 21.227 -99.200 -91.000 TYR 144 0.840 52.191 18.783 19.239 -99.200 -91.000 PHE 149 1.000 59.362 13.678 31.299 -99.200 -91.000 TYR 169 0.840 60.998 13.512 25.896 -99.200 -91.000 TYR 175 0.840 44.931 13.903 26.440 -99.200 -91.000 PHE 176 1.000 44.397 5.000 28.425 -99.200 -91.000 TYR 177 0.840 41.889 12.438 31.787 -99.200 -91.000 TYR 205 0.840 43.356 13.421 37.197 -99.200 -91.000 TYR 220 0.840 55.286 2.456 20.819 -99.200 -91.000 TRP 222 1.040 51.010 11.839 18.142 -99.200 -91.000 TRP6 222 1.020 51.745 13.689 19.329 -99.200 -91.000 HIS 228 0.900 45.941 22.112 3.296 -99.200 -91.000 PHE 237 1.000 55.285 6.025 9.298 -99.200 -91.000 TYR 257 0.840 38.401 -13.273 13.081 -99.200 -91.000 TRP 261 1.040 36.165 -7.128 21.715 -99.200 -91.000 TRP6 261 1.020 37.089 -4.935 21.608 -99.200 -91.000 TYR 279 0.840 38.996 -1.771 4.962 -99.200 -91.000 TYR 282 0.840 43.842 -6.705 5.632 -99.200 -91.000 TYR 292 0.840 52.496 -16.906 13.483 -99.200 -91.000