============================================================================= 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. PHE 7 1.000 8.849 11.267 16.882 -99.200 -91.000 PHE 8 1.000 7.031 18.390 11.406 -99.200 -91.000 HIS 11 0.900 16.999 11.551 6.636 -99.200 -91.000 PHE 12 1.000 12.363 18.757 5.363 -99.200 -91.000 PHE 13 1.000 11.315 19.578 9.918 -99.200 -91.000 TYR 16 0.840 21.049 23.198 3.057 -99.200 -91.000 PHE 44 1.000 1.838 15.906 8.606 -99.200 -91.000 PHE 54 1.000 7.682 33.446 -1.988 -99.200 -91.000 PHE 55 1.000 8.042 27.307 0.250 -99.200 -91.000 TRP 65 1.040 0.517 21.063 -2.006 -99.200 -91.000 TRP6 65 1.020 0.405 19.098 -3.298 -99.200 -91.000 PHE 78 1.000 11.685 31.976 0.525 -99.200 -91.000 PHE 82 1.000 7.490 23.110 6.150 -99.200 -91.000 HIS 87 0.900 -6.901 17.907 14.557 -99.200 -91.000 PHE 109 1.000 25.435 44.199 -23.793 -99.200 -91.000 HIS 110 0.900 23.993 47.228 -16.003 -99.200 -91.000 TYR 114 0.840 27.231 49.955 -24.156 -99.200 -91.000 PHE 129 1.000 31.724 52.604 -25.040 -99.200 -91.000 TYR 146 0.840 31.756 42.035 -21.704 -99.200 -91.000 PHE 148 1.000 33.846 44.627 -30.994 -99.200 -91.000 PHE 154 1.000 39.889 48.834 -40.150 -99.200 -91.000 PHE 155 1.000 37.267 50.105 -33.895 -99.200 -91.000 TYR 172 0.840 36.381 61.722 -41.776 -99.200 -91.000 TYR 178 0.840 35.354 51.530 -38.628 -99.200 -91.000 HIS 208 0.900 40.069 65.563 -45.226 -99.200 -91.000