============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 5 0.840 34.812 -82.526 43.574 -99.200 -91.000 PHE 12 1.000 33.934 -82.271 18.695 -99.200 -91.000 TYR 19 0.840 36.983 -76.654 25.334 -99.200 -91.000 TYR 23 0.840 42.983 -75.749 26.473 -99.200 -91.000 HIS 30 0.900 55.028 -73.902 25.750 -99.200 -91.000 TYR 66 0.840 62.907 -92.965 23.773 -99.200 -91.000 HIS 93 0.900 49.849-103.503 16.176 -99.200 -91.000 TYR 97 0.840 52.057-106.950 10.179 -99.200 -91.000 TYR 101 0.840 49.466-110.582 9.503 -99.200 -91.000 TYR 121 0.840 44.427 -92.501 26.487 -99.200 -91.000 HIS 124 0.900 37.094 -94.310 23.707 -99.200 -91.000 PHE 130 1.000 48.861 -91.537 26.209 -99.200 -91.000 PHE 134 1.000 55.360 -90.911 19.722 -99.200 -91.000 TYR 136 0.840 55.293 -92.715 14.381 -99.200 -91.000 TYR 139 0.840 63.567-100.250 3.312 -99.200 -91.000 TYR 143 0.840 53.401 -97.366 0.371 -99.200 -91.000 TYR 145 0.840 65.510 -95.328 3.079 -99.200 -91.000 TYR 148 0.840 54.125 -92.701 7.493 -99.200 -91.000 TYR 156 0.840 48.197 -92.120 9.961 -99.200 -91.000 TRP 159 1.040 54.985 -84.608 7.561 -99.200 -91.000 TRP6 159 1.020 54.113 -82.522 6.916 -99.200 -91.000 TYR 179 0.840 63.526 -82.609 1.069 -99.200 -91.000 TYR 206 0.840 79.863 -82.756 23.277 -99.200 -91.000 PHE 211 1.000 71.988 -85.220 13.327 -99.200 -91.000 TYR 224 0.840 74.086 -99.701 11.476 -99.200 -91.000 PHE 228 1.000 75.209 -90.003 13.374 -99.200 -91.000