============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 10 0.840 24.396 40.476 20.113 -99.200 -91.000 TYR 30 0.840 22.007 52.729 21.950 -99.200 -91.000 TYR 32 0.840 25.921 48.199 19.362 -99.200 -91.000 HIS 50 0.900 14.224 37.965 -8.482 -99.200 -91.000 TYR 53 0.840 25.634 33.461 -10.396 -99.200 -91.000 TRP 75 1.040 35.145 50.887 -6.875 -99.200 -91.000 TRP6 75 1.020 36.323 52.369 -8.297 -99.200 -91.000 TYR 76 0.840 36.088 46.571 -1.045 -99.200 -91.000 PHE 86 1.000 35.170 54.678 -3.361 -99.200 -91.000 PHE 95 1.000 25.742 46.466 -7.184 -99.200 -91.000 HIS 99 0.900 23.611 34.373 -0.476 -99.200 -91.000 TRP 104 1.040 37.248 28.774 -2.451 -99.200 -91.000 TRP6 104 1.020 37.899 27.256 -0.760 -99.200 -91.000 TYR 123 0.840 35.560 61.185 22.245 -99.200 -91.000 TRP 130 1.040 27.064 60.219 25.366 -99.200 -91.000 TRP6 130 1.020 28.663 59.390 26.896 -99.200 -91.000 PHE 143 1.000 32.928 48.380 7.181 -99.200 -91.000 TYR 147 0.840 23.189 55.877 10.653 -99.200 -91.000 TYR 165 0.840 19.943 59.556 17.388 -99.200 -91.000 PHE 167 1.000 23.183 57.961 5.920 -99.200 -91.000 TYR 171 0.840 11.436 51.574 1.171 -99.200 -91.000 PHE 177 1.000 12.146 55.026 18.818 -99.200 -91.000 TYR 178 0.840 14.493 48.581 17.869 -99.200 -91.000 PHE 184 1.000 25.835 56.502 20.957 -99.200 -91.000 HIS 187 0.900 28.486 68.150 9.530 -99.200 -91.000 HIS 188 0.900 35.716 67.980 11.123 -99.200 -91.000 PHE 199 1.000 22.855 47.832 -3.395 -99.200 -91.000 HIS 202 0.900 19.428 43.672 -0.070 -99.200 -91.000 PHE 207 1.000 14.340 48.163 1.187 -99.200 -91.000 PHE 212 1.000 29.060 56.262 8.355 -99.200 -91.000 PHE 213 1.000 34.561 51.447 2.597 -99.200 -91.000 PHE 226 1.000 27.859 60.728 8.821 -99.200 -91.000 TYR 228 0.840 25.626 64.405 11.465 -99.200 -91.000 PHE 232 1.000 21.617 66.853 11.281 -99.200 -91.000 TRP 233 1.040 24.709 70.338 9.141 -99.200 -91.000 TRP6 233 1.020 24.914 71.101 11.372 -99.200 -91.000 PHE 240 1.000 22.196 71.005 16.071 -99.200 -91.000 HIS 251 0.900 26.658 72.826 7.269 -99.200 -91.000