============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 9 1.000 25.117 25.133 18.229 -99.200 -91.000 HIS 30 0.900 -3.764 19.211 35.053 -99.200 -91.000 TYR 36 0.840 0.075 16.546 31.784 -99.200 -91.000 TYR 38 0.840 4.730 15.040 26.807 -99.200 -91.000 TRP 39 1.040 13.574 16.464 28.164 -99.200 -91.000 TRP6 39 1.020 14.789 18.387 27.525 -99.200 -91.000 TYR 40 0.840 8.525 14.946 21.273 -99.200 -91.000 HIS 49 0.900 14.149 9.126 18.594 -99.200 -91.000 TYR 53 0.840 5.735 8.458 29.070 -99.200 -91.000 HIS 54 0.900 2.374 12.211 31.120 -99.200 -91.000 PHE 66 1.000 19.335 9.030 26.030 -99.200 -91.000 PHE 75 1.000 10.430 21.898 32.540 -99.200 -91.000 TYR 90 0.840 19.317 14.590 22.834 -99.200 -91.000 TYR 91 0.840 14.036 19.881 18.074 -99.200 -91.000 HIS 94 0.900 2.954 23.664 25.713 -99.200 -91.000 PHE 102 1.000 7.025 20.705 19.052 -99.200 -91.000 PHE 122 1.000 36.343 11.340 -6.005 -99.200 -91.000 PHE 139 1.000 33.193 13.381 -2.114 -99.200 -91.000 PHE 143 1.000 36.702 17.230 8.734 -99.200 -91.000 TYR 144 0.840 36.150 15.856 17.338 -99.200 -91.000 TRP 152 1.040 39.214 23.632 -4.513 -99.200 -91.000 TRP6 152 1.020 39.206 21.612 -5.719 -99.200 -91.000 TRP 167 1.040 31.987 22.883 6.169 -99.200 -91.000 TRP6 167 1.020 30.822 24.620 5.044 -99.200 -91.000 TYR 177 0.840 31.826 17.384 13.309 -99.200 -91.000 TYR 190 0.840 38.899 19.894 -16.416 -99.200 -91.000 HIS 193 0.900 43.659 27.320 -16.249 -99.200 -91.000 TYR 196 0.840 42.041 21.726 -13.054 -99.200 -91.000 HIS 202 0.900 41.474 18.202 11.419 -99.200 -91.000 PHE 213 1.000 42.065 16.462 -11.606 -99.200 -91.000