============================================================================= 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 35.495 -88.145 43.482 -99.200 -91.000 PHE 7 1.000 35.517 -86.820 37.864 -99.200 -91.000 PHE 12 1.000 47.423 -81.464 28.917 -99.200 -91.000 TYR 23 0.840 48.470 -76.282 41.712 -99.200 -91.000 TYR 75 0.840 60.979 -88.595 51.174 -99.200 -91.000 TYR 82 0.840 61.022 -92.690 50.070 -99.200 -91.000 HIS 94 0.900 61.246-109.296 44.566 -99.200 -91.000 TYR 97 0.840 64.500-107.446 34.841 -99.200 -91.000 TYR 101 0.840 63.525-111.011 31.693 -99.200 -91.000 TYR 104 0.840 67.122-109.041 43.461 -99.200 -91.000 PHE 130 1.000 52.466 -92.070 44.065 -99.200 -91.000 HIS 139 0.900 77.296-102.445 39.517 -99.200 -91.000 PHE 142 1.000 75.608-107.579 30.651 -99.200 -91.000 PHE 145 1.000 79.255 -98.466 41.072 -99.200 -91.000 TYR 148 0.840 68.750 -93.530 35.545 -99.200 -91.000 TYR 156 0.840 63.022 -92.546 33.252 -99.200 -91.000 PHE 157 1.000 64.555 -85.280 34.730 -99.200 -91.000 TRP 159 1.040 69.990 -85.529 37.578 -99.200 -91.000 TRP6 159 1.020 70.465 -83.316 36.903 -99.200 -91.000 PHE 174 1.000 80.280 -77.332 48.203 -99.200 -91.000 TRP 179 1.040 80.582 -85.427 39.750 -99.200 -91.000 TRP6 179 1.020 81.007 -85.729 37.438 -99.200 -91.000 HIS 190 0.900 85.675 -84.426 52.394 -99.200 -91.000 PHE 204 1.000 76.128 -82.063 58.568 -99.200 -91.000 TYR 223 0.840 73.228-117.164 50.126 -99.200 -91.000 PHE 234 1.000 70.876 -99.578 50.253 -99.200 -91.000