============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 4 1.000 33.554 44.224 27.003 -99.200 -91.000 PHE 8 1.000 34.733 44.920 16.910 -99.200 -91.000 TYR 17 0.840 36.270 49.071 14.092 -99.200 -91.000 PHE 20 1.000 32.082 47.256 21.245 -99.200 -91.000 PHE 30 1.000 36.577 50.597 35.177 -99.200 -91.000 PHE 34 1.000 52.784 45.463 31.006 -99.200 -91.000 HIS 75 0.900 47.381 34.789 13.460 -99.200 -91.000 PHE 77 1.000 54.740 41.124 11.451 -99.200 -91.000 PHE 84 1.000 61.503 40.468 4.610 -99.200 -91.000 PHE 90 1.000 59.732 39.682 9.764 -99.200 -91.000 TYR 98 0.840 46.715 42.376 21.726 -99.200 -91.000 HIS 135 0.900 49.006 45.678 7.134 -99.200 -91.000 HIS 143 0.900 57.377 57.601 14.845 -99.200 -91.000 PHE 147 1.000 60.902 60.076 20.651 -99.200 -91.000 HIS 153 0.900 64.702 50.920 26.153 -99.200 -91.000 TYR 166 0.840 45.289 54.900 5.728 -99.200 -91.000 HIS 170 0.900 45.328 60.541 4.742 -99.200 -91.000 TRP 177 1.040 37.425 52.945 2.632 -99.200 -91.000 TRP6 177 1.020 39.699 53.067 1.969 -99.200 -91.000 PHE 186 1.000 33.286 40.344 14.474 -99.200 -91.000 TYR 204 0.840 48.790 47.768 23.097 -99.200 -91.000 PHE 207 1.000 47.985 52.466 26.057 -99.200 -91.000 TRP 232 1.040 38.665 58.385 -1.168 -99.200 -91.000 TRP6 232 1.020 38.609 58.827 1.155 -99.200 -91.000 TRP 239 1.040 42.492 55.772 -2.522 -99.200 -91.000 TRP6 239 1.020 44.004 53.982 -2.159 -99.200 -91.000 HIS 242 0.900 51.002 62.052 5.286 -99.200 -91.000 TRP 243 1.040 55.862 58.580 9.049 -99.200 -91.000 TRP6 243 1.020 54.368 57.894 10.753 -99.200 -91.000 HIS 247 0.900 65.989 57.061 2.589 -99.200 -91.000 HIS 256 0.900 44.830 49.165 6.028 -99.200 -91.000 PHE 257 1.000 41.675 44.616 6.332 -99.200 -91.000 HIS 263 0.900 48.851 41.405 -4.717 -99.200 -91.000 TRP 274 1.040 64.420 52.322 2.495 -99.200 -91.000 TRP6 274 1.020 64.210 51.751 4.781 -99.200 -91.000