============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 11 1.000 60.537 36.732 14.256 -99.200 -91.000 HIS 34 0.900 48.697 26.659 6.141 -99.200 -91.000 TYR 36 0.840 48.994 25.646 18.378 -99.200 -91.000 TRP 54 1.040 43.514 37.988 14.833 -99.200 -91.000 TRP6 54 1.020 41.997 36.331 14.107 -99.200 -91.000 PHE 62 1.000 45.794 28.735 15.192 -99.200 -91.000 PHE 93 1.000 41.491 39.335 -1.939 -99.200 -91.000 HIS 96 0.900 50.657 31.550 3.578 -99.200 -91.000 TRP 98 1.040 54.356 35.291 8.072 -99.200 -91.000 TRP6 98 1.020 52.297 34.109 7.902 -99.200 -91.000 HIS 112 0.900 52.699 54.754 17.177 -99.200 -91.000 PHE 133 1.000 58.810 47.380 11.576 -99.200 -91.000 TYR 156 0.840 61.986 29.765 -6.285 -99.200 -91.000 PHE 157 1.000 57.268 23.156 -8.835 -99.200 -91.000 PHE 159 1.000 55.860 20.374 1.822 -99.200 -91.000 HIS 160 0.900 53.253 26.367 3.458 -99.200 -91.000 TYR 163 0.840 57.976 30.241 1.312 -99.200 -91.000 TYR 165 0.840 50.699 38.970 0.280 -99.200 -91.000 PHE 166 1.000 61.431 37.461 0.794 -99.200 -91.000 PHE 170 1.000 62.335 41.983 -1.140 -99.200 -91.000 HIS 177 0.900 51.716 26.406 -5.132 -99.200 -91.000 PHE 178 1.000 57.812 19.469 -3.968 -99.200 -91.000 HIS 192 0.900 53.975 11.329 -12.799 -99.200 -91.000 PHE 207 1.000 64.507 27.203 -2.140 -99.200 -91.000 PHE 212 1.000 54.359 21.108 7.108 -99.200 -91.000 TYR 245 0.840 58.924 41.805 9.197 -99.200 -91.000 PHE 248 1.000 60.324 35.910 8.613 -99.200 -91.000 TYR 256 0.840 63.087 32.457 -1.469 -99.200 -91.000