============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 21 0.900 26.389 26.465 53.828 -99.200 -91.000 PHE 23 1.000 29.182 22.574 44.593 -99.200 -91.000 PHE 34 1.000 30.865 10.331 15.171 -99.200 -91.000 PHE 52 1.000 26.195 19.467 47.255 -99.200 -91.000 TYR 54 0.840 29.675 14.031 43.152 -99.200 -91.000 PHE 61 1.000 30.107 17.207 37.904 -99.200 -91.000 PHE 65 1.000 31.287 12.943 24.880 -99.200 -91.000 TYR 68 0.840 21.004 13.416 18.207 -99.200 -91.000 TYR 75 0.840 21.237 23.241 18.133 -99.200 -91.000 PHE 76 1.000 22.392 18.685 21.494 -99.200 -91.000 PHE 80 1.000 31.197 20.913 20.047 -99.200 -91.000 TYR 84 0.840 26.169 21.934 23.199 -99.200 -91.000 TRP 86 1.040 24.170 22.000 28.888 -99.200 -91.000 TRP6 86 1.020 23.721 21.934 31.211 -99.200 -91.000 TYR 92 0.840 16.264 18.132 42.529 -99.200 -91.000 TYR 111 0.840 33.618 17.369 22.576 -99.200 -91.000 TYR 113 0.840 31.859 19.078 29.276 -99.200 -91.000 PHE 117 1.000 24.113 22.052 40.908 -99.200 -91.000 PHE 122 1.000 18.151 21.015 46.733 -99.200 -91.000 TRP 136 1.040 20.064 11.736 38.639 -99.200 -91.000 TRP6 136 1.020 18.197 13.153 39.060 -99.200 -91.000 TYR 144 0.840 9.945 21.647 23.697 -99.200 -91.000 HIS 165 0.900 11.417 5.890 42.224 -99.200 -91.000 TYR 166 0.840 14.064 15.087 46.108 -99.200 -91.000 PHE 170 1.000 17.027 17.147 35.427 -99.200 -91.000 TYR 174 0.840 19.987 21.025 25.128 -99.200 -91.000 TYR 185 0.840 7.853 14.988 17.180 -99.200 -91.000 HIS 186 0.900 15.708 15.155 18.652 -99.200 -91.000 PHE 187 1.000 10.057 11.611 21.823 -99.200 -91.000 HIS 190 0.900 18.175 10.930 30.117 -99.200 -91.000 HIS 191 0.900 21.520 3.031 33.086 -99.200 -91.000 HIS 197 0.900 30.356 6.390 46.520 -99.200 -91.000 TYR 201 0.840 29.013 9.996 47.081 -99.200 -91.000 HIS 207 0.900 31.593 4.313 33.447 -99.200 -91.000 HIS 209 0.900 23.524 3.426 28.306 -99.200 -91.000 HIS 213 0.900 13.462 7.165 21.472 -99.200 -91.000