============================================================================= 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. TRP 20 1.040 29.143 15.314 48.248 -99.200 -91.000 TRP6 20 1.020 30.765 13.602 47.985 -99.200 -91.000 HIS 26 0.900 23.808 24.908 51.255 -99.200 -91.000 HIS 54 0.900 27.763 12.441 67.360 -99.200 -91.000 PHE 71 1.000 33.232 27.965 60.438 -99.200 -91.000 HIS 76 0.900 46.339 25.396 69.742 -99.200 -91.000 PHE 80 1.000 37.609 23.096 64.623 -99.200 -91.000 PHE 103 1.000 16.026 30.811 48.864 -99.200 -91.000 TRP 108 1.040 11.718 24.396 51.580 -99.200 -91.000 TRP6 108 1.020 12.529 26.372 50.581 -99.200 -91.000 HIS 109 0.900 17.904 26.657 47.148 -99.200 -91.000 TRP 110 1.040 20.521 19.045 48.475 -99.200 -91.000 TRP6 110 1.020 22.637 19.988 48.037 -99.200 -91.000 TRP 113 1.040 19.573 23.701 42.752 -99.200 -91.000 TRP6 113 1.020 20.570 24.178 40.666 -99.200 -91.000 HIS 118 0.900 9.962 17.347 35.313 -99.200 -91.000 PHE 127 1.000 10.191 24.619 45.249 -99.200 -91.000 PHE 135 1.000 10.567 30.076 45.854 -99.200 -91.000 TRP 136 1.040 6.146 32.517 42.489 -99.200 -91.000 TRP6 136 1.020 7.677 33.913 43.609 -99.200 -91.000 HIS 140 0.900 -0.664 32.159 50.364 -99.200 -91.000 PHE 149 1.000 11.700 34.828 47.287 -99.200 -91.000 TYR 167 0.840 14.032 56.812 35.364 -99.200 -91.000 PHE 169 1.000 12.929 57.028 40.018 -99.200 -91.000 PHE 192 1.000 14.393 61.493 42.630 -99.200 -91.000 PHE 229 1.000 3.211 39.654 39.389 -99.200 -91.000 PHE 230 1.000 0.978 36.088 36.042 -99.200 -91.000 TYR 240 0.840 2.267 51.697 36.302 -99.200 -91.000 HIS 244 0.900 16.845 41.561 40.623 -99.200 -91.000 HIS 247 0.900 15.078 37.408 37.784 -99.200 -91.000 TRP 249 1.040 6.426 35.494 36.766 -99.200 -91.000 TRP6 249 1.020 4.819 33.958 37.544 -99.200 -91.000 PHE 287 1.000 27.310 28.134 38.315 -99.200 -91.000 PHE 306 1.000 13.606 41.211 30.193 -99.200 -91.000