============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 5 0.840 -0.588 15.960 77.773 -99.200 -91.000 TYR 7 0.840 -10.418 22.940 77.119 -99.200 -91.000 TYR 10 0.840 -4.475 19.316 75.372 -99.200 -91.000 TRP 16 1.040 3.924 28.391 83.931 -99.200 -91.000 TRP6 16 1.020 5.868 28.579 82.584 -99.200 -91.000 HIS 20 0.900 5.145 32.119 84.091 -99.200 -91.000 HIS 23 0.900 7.584 38.291 73.179 -99.200 -91.000 PHE 48 1.000 8.613 31.251 78.520 -99.200 -91.000 TYR 50 0.840 10.179 22.126 73.609 -99.200 -91.000 PHE 56 1.000 5.612 22.331 75.610 -99.200 -91.000 HIS 64 0.900 20.584 16.569 75.739 -99.200 -91.000 PHE 70 1.000 5.859 32.148 73.560 -99.200 -91.000 PHE 72 1.000 6.361 41.328 67.815 -99.200 -91.000 PHE 85 1.000 8.331 17.026 72.597 -99.200 -91.000 HIS 86 0.900 11.208 13.465 65.496 -99.200 -91.000 TYR 88 0.840 12.486 9.230 65.404 -99.200 -91.000 TYR 91 0.840 8.590 11.949 73.399 -99.200 -91.000 TRP 94 1.040 -1.638 10.198 74.403 -99.200 -91.000 TRP6 94 1.020 -0.669 10.903 76.467 -99.200 -91.000 PHE 98 1.000 0.563 19.775 76.315 -99.200 -91.000 PHE 103 1.000 2.784 25.789 69.590 -99.200 -91.000 HIS 104 0.900 -7.575 26.429 69.466 -99.200 -91.000 PHE 124 1.000 10.521 16.262 44.659 -99.200 -91.000 HIS 135 0.900 -1.498 14.483 55.844 -99.200 -91.000 PHE 141 1.000 -4.072 4.979 54.942 -99.200 -91.000 PHE 155 1.000 -8.366 21.088 72.746 -99.200 -91.000 PHE 159 1.000 -16.786 10.443 63.165 -99.200 -91.000 TYR 166 0.840 -0.355 19.583 54.222 -99.200 -91.000 TRP 178 1.040 11.953 28.980 44.680 -99.200 -91.000 TRP6 178 1.020 13.312 28.381 46.522 -99.200 -91.000 TYR 192 0.840 6.295 14.245 55.347 -99.200 -91.000 PHE 200 1.000 17.763 7.195 57.254 -99.200 -91.000 HIS 230 0.900 -9.996 17.908 66.658 -99.200 -91.000 PHE 236 1.000 4.308 27.146 53.442 -99.200 -91.000 PHE 238 1.000 9.920 24.944 54.361 -99.200 -91.000 TYR 249 0.840 16.957 -4.677 45.407 -99.200 -91.000 HIS 257 0.900 20.933 12.370 62.157 -99.200 -91.000 PHE 274 1.000 10.185 29.261 51.126 -99.200 -91.000