============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 36 0.840 13.897 10.753 34.891 -99.200 -91.000 TRP 39 1.040 10.399 14.787 48.436 -99.200 -91.000 TRP6 39 1.020 11.880 16.062 49.759 -99.200 -91.000 PHE 41 1.000 9.237 7.701 57.819 -99.200 -91.000 PHE 53 1.000 6.182 7.515 41.181 -99.200 -91.000 PHE 66 1.000 3.645 11.509 54.629 -99.200 -91.000 PHE 75 1.000 13.228 19.585 42.774 -99.200 -91.000 TYR 90 0.840 9.703 12.108 56.643 -99.200 -91.000 TYR 91 0.840 17.853 10.012 54.295 -99.200 -91.000 TRP 93 1.040 17.999 8.417 45.500 -99.200 -91.000 TRP6 93 1.020 18.009 6.552 46.930 -99.200 -91.000 HIS 97 0.900 21.763 16.362 36.200 -99.200 -91.000 PHE 98 1.000 26.373 7.030 36.504 -99.200 -91.000 HIS 100 0.900 20.509 7.423 39.752 -99.200 -91.000 PHE 122 1.000 13.959 -6.150 85.524 -99.200 -91.000 PHE 139 1.000 14.948 -3.075 81.076 -99.200 -91.000 PHE 143 1.000 12.086 8.788 79.666 -99.200 -91.000 TYR 144 0.840 7.934 14.481 74.467 -99.200 -91.000 TRP 152 1.040 22.837 2.973 88.009 -99.200 -91.000 TRP6 152 1.020 21.537 1.031 88.398 -99.200 -91.000 TRP 167 1.040 18.049 8.585 76.574 -99.200 -91.000 TRP6 167 1.020 20.194 8.589 77.558 -99.200 -91.000 TYR 177 0.840 12.147 10.171 73.162 -99.200 -91.000 TYR 190 0.840 25.215 -7.915 93.338 -99.200 -91.000 HIS 193 0.900 29.722 -2.274 98.336 -99.200 -91.000 TYR 196 0.840 24.232 -3.564 94.903 -99.200 -91.000 HIS 202 0.900 10.709 13.208 82.442 -99.200 -91.000 PHE 213 1.000 18.996 -5.349 93.826 -99.200 -91.000