============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 5 1.000 -25.485 -60.963 97.732 -99.200 -91.000 HIS 7 0.900 -27.921 -63.924 107.709 -99.200 -91.000 PHE 9 1.000 -26.268 -63.609 111.693 -99.200 -91.000 PHE 14 1.000 -21.189 -61.442 101.980 -99.200 -91.000 PHE 23 1.000 -33.464 -57.240 90.999 -99.200 -91.000 PHE 35 1.000 -47.026 -54.060 80.067 -99.200 -91.000 PHE 49 1.000 -59.033 -49.019 74.867 -99.200 -91.000 PHE 64 1.000 -53.610 -52.775 92.543 -99.200 -91.000 HIS 73 0.900 -54.013 -67.939 98.609 -99.200 -91.000 HIS 102 0.900 -52.355 -58.168 80.576 -99.200 -91.000 PHE 103 1.000 -57.931 -55.639 72.763 -99.200 -91.000 HIS 132 0.900 -17.923 -41.770 95.266 -99.200 -91.000 HIS 146 0.900 5.319 -40.128 90.722 -99.200 -91.000 TYR 152 0.840 5.511 -59.999 95.521 -99.200 -91.000 TRP 170 1.040 -5.587 -53.013 91.560 -99.200 -91.000 TRP6 170 1.020 -4.635 -51.834 93.360 -99.200 -91.000 HIS 177 0.900 -14.931 -53.977 83.545 -99.200 -91.000 PHE 184 1.000 -27.432 -54.135 78.138 -99.200 -91.000 PHE 189 1.000 -30.934 -51.383 81.135 -99.200 -91.000 PHE 193 1.000 -47.691 -54.506 73.405 -99.200 -91.000 TRP 226 1.040 -37.046 -58.315 74.327 -99.200 -91.000 TRP6 226 1.020 -36.752 -58.712 76.638 -99.200 -91.000 HIS 227 0.900 -43.276 -62.782 74.178 -99.200 -91.000 PHE 236 1.000 -27.679 -55.486 83.531 -99.200 -91.000 PHE 250 1.000 -9.134 -52.523 95.144 -99.200 -91.000 PHE 281 1.000 -23.537 -65.307 93.883 -99.200 -91.000 HIS 290 0.900 -23.421 -66.941 78.186 -99.200 -91.000 TRP 304 1.040 -39.147 -65.616 81.769 -99.200 -91.000 TRP6 304 1.020 -41.496 -65.515 82.026 -99.200 -91.000 TRP 308 1.040 -38.733 -65.370 86.249 -99.200 -91.000 TRP6 308 1.020 -40.808 -66.430 86.643 -99.200 -91.000