============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 3 1.000 -4.242 12.820 10.289 -99.200 -91.000 HIS 15 0.900 -10.766 11.916 17.371 -99.200 -91.000 TYR 20 0.840 -11.894 20.951 25.086 -99.200 -91.000 TYR 23 0.840 -8.092 28.872 22.464 -99.200 -91.000 TRP 28 1.040 -8.296 23.475 18.598 -99.200 -91.000 TRP6 28 1.020 -6.908 22.928 20.417 -99.200 -91.000 PHE 34 1.000 2.480 27.951 10.706 -99.200 -91.000 PHE 38 1.000 -1.482 20.402 8.502 -99.200 -91.000 TYR 53 0.840 7.880 12.359 22.709 -99.200 -91.000 TRP 62 1.040 4.954 21.127 32.445 -99.200 -91.000 TRP6 62 1.020 5.507 21.262 34.707 -99.200 -91.000 TRP 63 1.040 1.467 18.864 29.076 -99.200 -91.000 TRP6 63 1.020 -0.318 19.322 30.540 -99.200 -91.000 TRP 108 1.040 0.137 23.162 21.619 -99.200 -91.000 TRP6 108 1.020 -1.903 23.055 22.789 -99.200 -91.000 TRP 111 1.040 -2.927 29.319 18.621 -99.200 -91.000 TRP6 111 1.020 -3.317 30.921 20.321 -99.200 -91.000 TRP 123 1.040 -4.105 27.988 9.112 -99.200 -91.000 TRP6 123 1.020 -2.334 27.026 7.920 -99.200 -91.000