============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 22 0.840 -4.425 6.593 31.128 -99.200 -91.000 PHE 25 1.000 2.085 8.581 32.411 -99.200 -91.000 TYR 27 0.840 -0.615 12.083 38.885 -99.200 -91.000 HIS 42 0.900 -3.240 13.823 42.684 -99.200 -91.000 HIS 43 0.900 -1.580 21.397 45.268 -99.200 -91.000 HIS 44 0.900 0.722 22.758 38.472 -99.200 -91.000 PHE 45 1.000 -1.847 18.853 34.385 -99.200 -91.000 TYR 59 0.840 0.926 13.977 19.113 -99.200 -91.000 TYR 84 0.840 2.417 12.593 7.804 -99.200 -91.000 TYR 87 0.840 6.784 15.441 12.313 -99.200 -91.000 TRP 88 1.040 5.152 10.920 11.720 -99.200 -91.000 TRP6 88 1.020 5.369 10.812 14.085 -99.200 -91.000 HIS 97 0.900 8.487 13.811 22.453 -99.200 -91.000 PHE 99 1.000 4.409 3.791 17.975 -99.200 -91.000 HIS 123 0.900 -3.360 12.519 15.459 -99.200 -91.000 PHE 124 1.000 -5.792 6.766 14.996 -99.200 -91.000 TRP 130 1.040 -2.817 18.129 6.083 -99.200 -91.000 TRP6 130 1.020 -0.840 16.920 5.556 -99.200 -91.000 PHE 157 1.000 1.094 8.458 3.496 -99.200 -91.000 HIS 161 0.900 -1.444 6.002 12.722 -99.200 -91.000 HIS 169 0.900 10.250 -6.232 12.000 -99.200 -91.000 PHE 175 1.000 7.505 6.473 9.085 -99.200 -91.000