============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 7 0.840 17.407 22.153 22.029 -99.200 -91.000 TYR 8 0.840 14.696 28.458 18.408 -99.200 -91.000 TYR 11 0.840 6.146 25.750 15.917 -99.200 -91.000 HIS 13 0.900 8.841 19.295 14.112 -99.200 -91.000 PHE 47 1.000 8.335 29.579 22.281 -99.200 -91.000 TYR 68 0.840 30.009 21.898 27.517 -99.200 -91.000 PHE 73 1.000 27.693 25.015 17.434 -99.200 -91.000 PHE 79 1.000 11.982 32.415 4.621 -99.200 -91.000 PHE 89 1.000 24.446 30.941 22.662 -99.200 -91.000 TRP 97 1.040 37.073 35.327 16.128 -99.200 -91.000 TRP6 97 1.020 38.224 37.392 16.025 -99.200 -91.000 TYR 103 0.840 42.596 27.765 16.187 -99.200 -91.000 PHE 110 1.000 21.188 18.537 16.211 -99.200 -91.000 TRP 127 1.040 29.534 22.306 8.443 -99.200 -91.000 TRP6 127 1.020 29.946 21.009 6.505 -99.200 -91.000 HIS 132 0.900 34.459 33.558 9.534 -99.200 -91.000 HIS 133 0.900 33.894 31.387 17.615 -99.200 -91.000 TYR 142 0.840 26.562 9.835 1.144 -99.200 -91.000 PHE 148 1.000 24.901 4.319 1.136 -99.200 -91.000 TYR 159 0.840 26.320 18.402 2.539 -99.200 -91.000 TYR 183 0.840 27.772 7.559 12.273 -99.200 -91.000 TYR 187 0.840 32.595 10.501 12.798 -99.200 -91.000