============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. HIS 4 0.900 25.268 36.216 1.779 -99.200 -91.000 TYR 6 0.840 22.257 28.296 -1.736 -99.200 -91.000 TYR 9 0.840 10.165 26.598 -1.034 -99.200 -91.000 PHE 25 1.000 9.301 33.283 -9.321 -99.200 -91.000 PHE 34 1.000 12.953 35.092 8.802 -99.200 -91.000 HIS 35 0.900 15.688 40.941 5.258 -99.200 -91.000 PHE 41 1.000 17.329 36.146 4.181 -99.200 -91.000 HIS 44 0.900 17.979 28.112 -6.970 -99.200 -91.000 TYR 46 0.840 16.795 23.030 -5.038 -99.200 -91.000 TRP 58 1.040 17.846 11.759 -1.344 -99.200 -91.000 TRP6 58 1.020 18.241 9.488 -0.777 -99.200 -91.000 TYR 69 0.840 31.973 23.531 1.409 -99.200 -91.000 TYR 72 0.840 25.767 31.787 -0.530 -99.200 -91.000 PHE 75 1.000 26.378 26.036 2.281 -99.200 -91.000 HIS 79 0.900 13.119 17.462 2.193 -99.200 -91.000 TYR 85 0.840 13.232 7.527 4.499 -99.200 -91.000 PHE 92 1.000 25.753 7.779 6.105 -99.200 -91.000 PHE 93 1.000 26.634 17.647 1.564 -99.200 -91.000 HIS 125 0.900 21.134 33.255 16.874 -99.200 -91.000 TYR 130 0.840 24.800 29.620 19.496 -99.200 -91.000 PHE 138 1.000 15.686 24.624 14.947 -99.200 -91.000 PHE 139 1.000 9.294 20.245 11.982 -99.200 -91.000 HIS 152 0.900 2.290 12.739 17.081 -99.200 -91.000 PHE 156 1.000 3.584 17.376 19.087 -99.200 -91.000 PHE 159 1.000 10.973 15.492 11.110 -99.200 -91.000 PHE 190 1.000 31.657 19.917 0.388 -99.200 -91.000 TYR 205 0.840 4.936 -11.655 9.027 -99.200 -91.000 HIS 210 0.900 10.947 -21.182 3.018 -99.200 -91.000 PHE 228 1.000 10.349 -10.551 16.115 -99.200 -91.000 TYR 268 0.840 28.748 -14.421 26.517 -99.200 -91.000 TYR 283 0.840 27.316 -2.312 15.629 -99.200 -91.000 HIS 294 0.900 19.556 4.044 -1.575 -99.200 -91.000 TYR 295 0.840 29.448 6.920 1.208 -99.200 -91.000 TYR 303 0.840 29.271 -9.249 0.238 -99.200 -91.000