============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 2 0.840 181.113 25.150 109.710 -99.200 -91.000 TYR 31 0.840 184.157 19.265 121.329 -99.200 -91.000 TRP 34 1.040 180.908 11.002 112.481 -99.200 -91.000 TRP6 34 1.020 181.001 11.117 110.120 -99.200 -91.000 TYR 35 0.840 173.305 12.671 115.214 -99.200 -91.000 TYR 36 0.840 172.528 2.795 110.572 -99.200 -91.000 TYR 48 0.840 179.562 11.462 123.232 -99.200 -91.000 PHE 51 1.000 188.005 11.300 121.450 -99.200 -91.000 TYR 85 0.840 176.853 4.751 108.471 -99.200 -91.000 TYR 86 0.840 171.830 11.709 106.989 -99.200 -91.000 TRP 90 1.040 176.334 21.802 117.905 -99.200 -91.000 TRP6 90 1.020 174.265 22.523 118.795 -99.200 -91.000 PHE 105 1.000 171.641 17.237 111.397 -99.200 -91.000 PHE 126 1.000 153.907 -5.909 80.419 -99.200 -91.000 PHE 147 1.000 167.803 -3.051 89.769 -99.200 -91.000 TYR 148 0.840 174.152 -6.496 95.307 -99.200 -91.000 TRP 156 1.040 161.283 6.441 79.776 -99.200 -91.000 TRP6 156 1.020 159.888 4.584 79.320 -99.200 -91.000 TYR 180 0.840 168.861 -3.401 96.042 -99.200 -91.000 TYR 185 0.840 154.705 3.082 85.917 -99.200 -91.000 TRP 193 1.040 150.952 3.720 71.213 -99.200 -91.000 TRP6 193 1.020 153.075 2.744 71.536 -99.200 -91.000 HIS 196 0.900 157.714 9.796 67.686 -99.200 -91.000 TYR 199 0.840 157.261 6.705 72.058 -99.200 -91.000 HIS 205 0.900 173.250 -3.049 87.729 -99.200 -91.000