============================================================================= 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. TRP 35 1.040 -65.740 -7.957 8.459 -99.200 -91.000 TRP6 35 1.020 -68.079 -8.374 8.341 -99.200 -91.000 PHE 37 1.000 -65.220 -5.329 0.026 -99.200 -91.000 TYR 47 0.840 -75.759 -16.833 -5.697 -99.200 -91.000 TYR 50 0.840 -71.624 -25.196 -6.853 -99.200 -91.000 HIS 69 0.900 -67.108 -4.664 16.092 -99.200 -91.000 HIS 72 0.900 -64.608 0.581 14.124 -99.200 -91.000 TYR 82 0.840 -76.857 -10.415 7.184 -99.200 -91.000 TYR 94 0.840 -77.264 -2.002 2.785 -99.200 -91.000 TYR 96 0.840 -67.528 -0.786 0.837 -99.200 -91.000 HIS 110 0.900 -82.091 -10.371 1.618 -99.200 -91.000 TYR 111 0.840 -79.608 -13.007 -6.271 -99.200 -91.000 TYR 116 0.840 -70.004 -21.408 7.949 -99.200 -91.000 TYR 120 0.840 -59.441 -28.589 13.438 -99.200 -91.000 HIS 135 0.900 -64.105 -26.316 -11.067 -99.200 -91.000 PHE 150 1.000 -50.506 -8.620 1.399 -99.200 -91.000 HIS 152 0.900 -45.893 0.421 -1.592 -99.200 -91.000 TYR 153 0.840 -47.208 -9.955 -4.704 -99.200 -91.000 HIS 161 0.900 -38.872 -13.819 2.373 -99.200 -91.000 TYR 165 0.840 -39.783 -6.446 14.804 -99.200 -91.000 TYR 169 0.840 -54.130 -11.897 13.136 -99.200 -91.000 HIS 170 0.900 -56.780 -7.967 3.896 -99.200 -91.000 TYR 177 0.840 -54.259 -26.651 -7.149 -99.200 -91.000 TYR 185 0.840 -48.094 -20.482 -8.186 -99.200 -91.000 TRP 186 1.040 -52.003 -21.911 -0.987 -99.200 -91.000 TRP6 186 1.020 -53.290 -23.859 -1.440 -99.200 -91.000 TRP 192 1.040 -56.129 -4.280 0.438 -99.200 -91.000 TRP6 192 1.020 -53.973 -4.547 1.371 -99.200 -91.000 TRP 196 1.040 -51.986 -5.863 -3.244 -99.200 -91.000 TRP6 196 1.020 -52.414 -8.170 -3.475 -99.200 -91.000 TYR 201 0.840 -57.425 -12.340 -8.910 -99.200 -91.000 TYR 203 0.840 -49.923 -15.212 -9.123 -99.200 -91.000 PHE 204 1.000 -50.309 -14.289 -0.528 -99.200 -91.000 TYR 216 0.840 -57.562 -20.015 12.291 -99.200 -91.000 TYR 218 0.840 -63.691 -19.972 8.142 -99.200 -91.000