============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 17 1.000 93.986 39.757 44.202 -99.200 -91.000 PHE 24 1.000 106.183 41.648 50.522 -99.200 -91.000 HIS 47 0.900 94.338 36.865 31.530 -99.200 -91.000 PHE 51 1.000 96.443 44.944 34.223 -99.200 -91.000 TYR 58 0.840 105.744 26.353 40.110 -99.200 -91.000 TYR 62 0.840 102.901 17.898 50.167 -99.200 -91.000 TYR 106 0.840 109.691 16.318 48.725 -99.200 -91.000 TYR 124 0.840 102.502 20.769 71.023 -99.200 -91.000 PHE 125 1.000 98.189 18.019 67.946 -99.200 -91.000 PHE 126 1.000 103.999 22.296 59.601 -99.200 -91.000 PHE 138 1.000 106.798 32.516 62.447 -99.200 -91.000 HIS 156 0.900 86.101 55.285 68.627 -99.200 -91.000 PHE 159 1.000 96.752 60.566 70.556 -99.200 -91.000 HIS 165 0.900 103.149 48.754 73.856 -99.200 -91.000 TYR 167 0.840 103.497 44.165 72.903 -99.200 -91.000 HIS 172 0.900 93.545 34.315 66.445 -99.200 -91.000 TRP 180 1.040 92.720 46.059 78.559 -99.200 -91.000 TRP6 180 1.020 92.279 47.566 76.759 -99.200 -91.000 PHE 207 1.000 87.550 50.852 71.175 -99.200 -91.000 TYR 216 0.840 83.684 33.366 67.559 -99.200 -91.000 HIS 226 0.900 87.847 35.493 51.856 -99.200 -91.000 TYR 227 0.840 88.400 39.566 50.765 -99.200 -91.000 PHE 241 1.000 111.064 40.871 49.791 -99.200 -91.000 PHE 242 1.000 111.077 45.369 52.118 -99.200 -91.000 TYR 253 0.840 107.816 24.136 72.027 -99.200 -91.000 TYR 257 0.840 106.376 35.037 77.817 -99.200 -91.000 HIS 274 0.900 119.294 33.971 58.856 -99.200 -91.000 PHE 292 1.000 100.887 33.940 78.878 -99.200 -91.000