============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 27 0.840 -19.936 -48.639 -35.611 -99.200 -91.000 PHE 29 1.000 -22.768 -45.218 -40.623 -99.200 -91.000 TYR 32 0.840 -18.608 -45.501 -31.140 -99.200 -91.000 TYR 33 0.840 -17.400 -36.978 -34.927 -99.200 -91.000 TRP 36 1.040 -14.109 -41.075 -45.423 -99.200 -91.000 TRP6 36 1.020 -13.910 -42.940 -46.854 -99.200 -91.000 TRP 47 1.040 -8.284 -36.688 -40.389 -99.200 -91.000 TRP6 47 1.020 -9.489 -34.706 -40.193 -99.200 -91.000 TYR 59 0.840 -16.050 -31.102 -37.076 -99.200 -91.000 PHE 64 1.000 -7.586 -34.228 -49.015 -99.200 -91.000 TYR 80 0.840 -22.477 -43.989 -49.926 -99.200 -91.000 TYR 93 0.840 -8.226 -41.482 -51.760 -99.200 -91.000 PHE 94 1.000 -5.459 -47.178 -45.579 -99.200 -91.000 TYR 100 0.840 -17.275 -38.105 -28.608 -99.200 -91.000 PHE 102 1.000 -11.655 -38.612 -18.423 -99.200 -91.000 TYR 110 0.840 -12.929 -52.061 -33.723 -99.200 -91.000 TRP 111 1.040 -7.436 -47.850 -38.703 -99.200 -91.000 TRP6 111 1.020 -6.493 -46.071 -39.917 -99.200 -91.000 TYR 130 0.840 6.710 -61.439 -71.864 -99.200 -91.000 TYR 153 0.840 1.127 -54.789 -63.931 -99.200 -91.000 PHE 154 1.000 -2.091 -47.376 -65.518 -99.200 -91.000 TRP 162 1.040 6.248 -67.991 -57.559 -99.200 -91.000 TRP6 162 1.020 7.236 -68.449 -59.661 -99.200 -91.000 HIS 172 0.900 12.858 -62.803 -51.580 -99.200 -91.000 PHE 174 1.000 12.412 -58.465 -55.833 -99.200 -91.000 TYR 183 0.840 1.361 -49.205 -62.385 -99.200 -91.000 TRP 196 1.040 12.378 -75.693 -62.855 -99.200 -91.000 TRP6 196 1.020 13.773 -74.780 -64.503 -99.200 -91.000 HIS 207 0.900 -4.536 -55.999 -64.578 -99.200 -91.000