============================================================================= 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. PHE 6 1.000 1.353 51.268 33.262 -99.200 -91.000 PHE 11 1.000 -2.649 56.365 32.751 -99.200 -91.000 PHE 15 1.000 -10.436 48.618 27.582 -99.200 -91.000 HIS 22 0.900 -7.327 56.291 14.512 -99.200 -91.000 TYR 40 0.840 -3.123 60.415 23.322 -99.200 -91.000 TYR 58 0.840 -3.878 46.116 8.526 -99.200 -91.000 PHE 76 1.000 13.107 61.979 19.693 -99.200 -91.000 TYR 78 0.840 4.373 64.883 13.208 -99.200 -91.000 TYR 79 0.840 5.536 60.516 15.641 -99.200 -91.000 TYR 82 0.840 0.320 65.274 19.832 -99.200 -91.000 PHE 97 1.000 1.518 55.027 28.445 -99.200 -91.000 PHE 98 1.000 8.301 60.310 21.652 -99.200 -91.000 PHE 120 1.000 7.211 62.305 27.164 -99.200 -91.000 TYR 141 0.840 11.929 36.585 19.514 -99.200 -91.000 PHE 143 1.000 16.657 35.331 25.752 -99.200 -91.000 PHE 154 1.000 16.449 51.245 32.946 -99.200 -91.000 PHE 156 1.000 20.819 57.511 28.550 -99.200 -91.000 PHE 157 1.000 14.390 57.631 29.524 -99.200 -91.000 TYR 168 0.840 10.525 36.760 25.162 -99.200 -91.000 PHE 169 1.000 5.957 32.148 20.553 -99.200 -91.000 HIS 173 0.900 13.766 30.946 25.068 -99.200 -91.000 PHE 174 1.000 7.131 33.734 28.754 -99.200 -91.000 PHE 184 1.000 18.654 46.485 33.343 -99.200 -91.000 TYR 188 0.840 5.262 50.386 29.823 -99.200 -91.000 PHE 200 1.000 -4.804 34.942 4.733 -99.200 -91.000 PHE 216 1.000 7.879 34.257 5.069 -99.200 -91.000 TYR 223 0.840 -4.748 34.372 12.213 -99.200 -91.000 PHE 235 1.000 8.065 38.605 30.381 -99.200 -91.000 TYR 236 0.840 0.245 39.537 38.171 -99.200 -91.000 PHE 258 1.000 -13.196 39.036 33.862 -99.200 -91.000 HIS 260 0.900 -4.327 40.578 27.047 -99.200 -91.000 HIS 275 0.900 -5.412 49.065 10.309 -99.200 -91.000 PHE 282 1.000 -9.468 53.106 22.294 -99.200 -91.000 TYR 298 0.840 -15.442 40.407 39.954 -99.200 -91.000 PHE 304 1.000 -11.528 42.212 36.769 -99.200 -91.000 HIS 305 0.900 -3.848 43.485 38.223 -99.200 -91.000