============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 6 1.000 98.378 206.631 136.517 -99.200 -91.000 TYR 8 0.840 104.293 206.243 132.626 -99.200 -91.000 HIS 9 0.900 100.239 210.918 128.289 -99.200 -91.000 HIS 35 0.900 109.342 207.707 146.044 -99.200 -91.000 HIS 50 0.900 95.711 212.132 130.231 -99.200 -91.000 HIS 79 0.900 122.392 208.236 146.147 -99.200 -91.000 PHE 86 1.000 130.766 222.611 141.361 -99.200 -91.000 TYR 108 0.840 119.659 205.077 146.083 -99.200 -91.000 TYR 136 0.840 111.871 227.461 143.330 -99.200 -91.000 TYR 152 0.840 107.092 227.867 142.732 -99.200 -91.000 TYR 153 0.840 107.465 227.377 147.757 -99.200 -91.000 TYR 157 0.840 99.130 219.384 148.532 -99.200 -91.000 PHE 158 1.000 95.633 226.787 146.652 -99.200 -91.000 HIS 179 0.900 128.505 229.324 152.583 -99.200 -91.000 TYR 181 0.840 127.605 224.708 155.943 -99.200 -91.000 TYR 183 0.840 116.600 222.409 156.799 -99.200 -91.000 TYR 193 0.840 106.476 215.312 154.982 -99.200 -91.000 TRP 225 1.040 114.183 235.331 153.226 -99.200 -91.000 TRP6 225 1.020 114.020 237.534 152.399 -99.200 -91.000 TYR 266 0.840 106.975 221.336 170.593 -99.200 -91.000