============================================================================= 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 10 1.000 199.599 149.112 30.485 -99.200 -91.000 TRP 29 1.040 197.278 138.938 11.816 -99.200 -91.000 TRP6 29 1.020 195.617 138.727 13.485 -99.200 -91.000 HIS 34 0.900 189.329 153.883 14.403 -99.200 -91.000 TYR 39 0.840 198.782 149.806 16.727 -99.200 -91.000 PHE 40 1.000 190.971 150.505 11.221 -99.200 -91.000 TYR 48 0.840 174.931 138.736 -1.088 -99.200 -91.000 TYR 67 0.840 191.480 139.855 13.268 -99.200 -91.000 TYR 68 0.840 189.780 149.346 18.423 -99.200 -91.000 PHE 79 1.000 183.784 158.575 26.262 -99.200 -91.000 HIS 80 0.900 184.199 155.186 18.465 -99.200 -91.000 HIS 88 0.900 181.467 146.520 20.422 -99.200 -91.000 TYR 97 0.840 184.552 148.390 24.597 -99.200 -91.000 TYR 101 0.840 173.512 154.002 27.488 -99.200 -91.000 PHE 109 1.000 180.544 146.966 28.803 -99.200 -91.000 PHE 113 1.000 188.010 134.892 26.156 -99.200 -91.000 TYR 115 0.840 181.613 132.044 33.114 -99.200 -91.000 TRP 123 1.040 181.468 144.965 24.197 -99.200 -91.000 TRP6 123 1.020 183.256 143.421 24.009 -99.200 -91.000 PHE 130 1.000 179.316 160.777 21.554 -99.200 -91.000 PHE 134 1.000 189.770 151.933 30.982 -99.200 -91.000 PHE 141 1.000 196.664 139.344 22.496 -99.200 -91.000 PHE 145 1.000 189.851 144.720 24.930 -99.200 -91.000 PHE 155 1.000 183.299 153.183 9.503 -99.200 -91.000 PHE 157 1.000 184.720 160.031 8.889 -99.200 -91.000 HIS 160 0.900 183.612 157.134 13.744 -99.200 -91.000 PHE 162 1.000 185.872 163.716 15.254 -99.200 -91.000 HIS 171 0.900 178.273 171.516 25.976 -99.200 -91.000 PHE 183 1.000 190.706 157.737 31.277 -99.200 -91.000 HIS 186 0.900 189.870 161.877 19.114 -99.200 -91.000