============================================================================= 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 35.161 -88.045 43.055 -99.200 -91.000 PHE 7 1.000 35.382 -86.860 37.497 -99.200 -91.000 PHE 12 1.000 47.135 -81.608 28.397 -99.200 -91.000 TYR 23 0.840 48.180 -76.196 41.049 -99.200 -91.000 TYR 75 0.840 60.809 -88.586 50.813 -99.200 -91.000 TYR 82 0.840 61.014 -92.756 49.643 -99.200 -91.000 HIS 94 0.900 61.228-109.417 44.367 -99.200 -91.000 TYR 97 0.840 64.485-107.679 34.536 -99.200 -91.000 TYR 101 0.840 63.463-111.294 31.522 -99.200 -91.000 TYR 104 0.840 66.820-108.974 43.240 -99.200 -91.000 PHE 130 1.000 52.245 -92.047 43.540 -99.200 -91.000 HIS 139 0.900 77.193-102.465 39.238 -99.200 -91.000 PHE 142 1.000 75.472-107.675 30.269 -99.200 -91.000 PHE 145 1.000 79.128 -98.431 40.452 -99.200 -91.000 TYR 148 0.840 68.678 -93.600 35.066 -99.200 -91.000 TYR 156 0.840 62.716 -92.538 32.881 -99.200 -91.000 PHE 157 1.000 64.542 -85.224 34.186 -99.200 -91.000 TRP 159 1.040 69.789 -85.452 37.045 -99.200 -91.000 TRP6 159 1.020 70.212 -83.222 36.397 -99.200 -91.000 PHE 174 1.000 79.871 -77.146 47.626 -99.200 -91.000 TRP 179 1.040 80.400 -85.400 39.292 -99.200 -91.000 TRP6 179 1.020 80.858 -85.694 36.990 -99.200 -91.000 HIS 190 0.900 85.317 -84.155 52.132 -99.200 -91.000 PHE 204 1.000 75.871 -82.034 57.959 -99.200 -91.000 TYR 223 0.840 73.035-116.931 50.167 -99.200 -91.000 PHE 234 1.000 70.687 -99.491 49.862 -99.200 -91.000