============================================================================= 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 1.000 188.673 114.804 21.084 -99.200 -91.000 TRP 28 1.040 178.624 131.508 29.623 -99.200 -91.000 TRP6 28 1.020 180.052 131.879 27.779 -99.200 -91.000 HIS 33 0.900 172.138 123.308 16.032 -99.200 -91.000 TYR 38 0.840 176.822 120.731 24.775 -99.200 -91.000 PHE 39 1.000 171.539 126.764 19.429 -99.200 -91.000 TYR 47 0.840 167.560 149.165 15.141 -99.200 -91.000 TYR 69 0.840 179.026 133.392 23.971 -99.200 -91.000 TYR 70 0.840 178.422 125.093 16.840 -99.200 -91.000 PHE 81 1.000 180.052 118.108 5.507 -99.200 -91.000 HIS 82 0.900 175.372 124.057 9.895 -99.200 -91.000 HIS 90 0.900 181.541 130.690 10.523 -99.200 -91.000 TYR 99 0.840 184.290 125.768 11.099 -99.200 -91.000 TYR 103 0.840 183.485 126.552 -1.421 -99.200 -91.000 PHE 111 1.000 188.554 127.099 7.281 -99.200 -91.000 PHE 115 1.000 192.755 133.136 19.567 -99.200 -91.000 TYR 117 0.840 200.060 135.645 13.175 -99.200 -91.000 TRP 125 1.040 185.596 130.070 10.246 -99.200 -91.000 TRP6 125 1.020 186.343 130.345 12.471 -99.200 -91.000 PHE 132 1.000 174.819 121.164 2.159 -99.200 -91.000 PHE 136 1.000 187.845 117.730 12.102 -99.200 -91.000 PHE 143 1.000 187.244 126.790 26.127 -99.200 -91.000 PHE 147 1.000 186.391 125.504 17.122 -99.200 -91.000 PHE 157 1.000 169.016 129.828 11.884 -99.200 -91.000 PHE 159 1.000 164.622 127.213 13.094 -99.200 -91.000 HIS 162 0.900 170.184 125.166 9.287 -99.200 -91.000 PHE 164 1.000 168.116 118.525 8.281 -99.200 -91.000 HIS 173 0.900 173.216 111.385 -4.898 -99.200 -91.000 PHE 185 1.000 184.863 112.814 10.249 -99.200 -91.000 HIS 188 0.900 172.568 109.435 9.502 -99.200 -91.000