============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TRP 21 1.040 17.307 -9.621 21.383 -99.200 -91.000 TRP6 21 1.020 19.242 -8.477 20.650 -99.200 -91.000 TYR 40 0.840 15.490 -3.031 37.210 -99.200 -91.000 HIS 42 0.900 11.046 1.474 30.852 -99.200 -91.000 HIS 47 0.900 4.610 -11.694 18.501 -99.200 -91.000 TYR 49 0.840 12.956 -8.064 22.116 -99.200 -91.000 PHE 74 1.000 5.933 4.052 30.402 -99.200 -91.000 TRP 80 1.040 9.011 -8.743 13.354 -99.200 -91.000 TRP6 80 1.020 11.087 -7.758 13.914 -99.200 -91.000 TYR 83 0.840 2.696 -9.541 13.339 -99.200 -91.000 HIS 84 0.900 6.055 -1.808 9.966 -99.200 -91.000 TYR 104 0.840 -2.837 0.452 31.143 -99.200 -91.000 TYR 108 0.840 2.275 -2.171 19.941 -99.200 -91.000 HIS 111 0.900 11.394 -4.530 17.721 -99.200 -91.000 TRP 112 1.040 14.105 -3.164 13.933 -99.200 -91.000 TRP6 112 1.020 16.267 -2.271 13.729 -99.200 -91.000 PHE 116 1.000 11.367 -7.067 7.829 -99.200 -91.000 PHE 122 1.000 8.490 -13.564 14.840 -99.200 -91.000 PHE 123 1.000 14.434 -10.564 10.978 -99.200 -91.000 TRP 142 1.040 2.151 8.237 13.965 -99.200 -91.000 TRP6 142 1.020 3.446 7.337 15.713 -99.200 -91.000 PHE 162 1.000 10.233 5.019 12.626 -99.200 -91.000 HIS 164 0.900 18.090 13.835 9.902 -99.200 -91.000 TYR 178 0.840 -3.569 10.695 19.633 -99.200 -91.000 HIS 188 0.900 27.044 1.529 22.091 -99.200 -91.000 TYR 190 0.840 33.317 1.317 22.753 -99.200 -91.000 TYR 199 0.840 14.762 16.040 13.973 -99.200 -91.000 TYR 210 0.840 18.525 -0.534 20.214 -99.200 -91.000 TRP 220 1.040 25.136 -9.110 15.840 -99.200 -91.000 TRP6 220 1.020 22.798 -9.294 16.136 -99.200 -91.000 HIS 241 0.900 32.217 9.154 39.644 -99.200 -91.000 PHE 252 1.000 27.616 8.409 28.111 -99.200 -91.000 PHE 274 1.000 15.752 0.504 40.423 -99.200 -91.000 PHE 277 1.000 17.488 5.561 39.869 -99.200 -91.000 PHE 279 1.000 27.285 6.611 39.611 -99.200 -91.000 TYR 292 0.840 36.229 6.995 26.417 -99.200 -91.000 TRP 296 1.040 30.806 -1.953 17.171 -99.200 -91.000 TRP6 296 1.020 29.787 -2.788 19.143 -99.200 -91.000 HIS 307 0.900 11.873 -2.084 3.834 -99.200 -91.000 TYR 310 0.840 19.366 -1.330 7.284 -99.200 -91.000 PHE 312 1.000 20.284 1.680 12.004 -99.200 -91.000 HIS 313 0.900 21.573 1.844 3.504 -99.200 -91.000 PHE 316 1.000 21.273 13.818 11.905 -99.200 -91.000