============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 16 1.000 30.646 60.856 12.030 -99.200 -91.000 HIS 18 0.900 20.832 56.085 14.204 -99.200 -91.000 HIS 22 0.900 22.737 57.849 21.160 -99.200 -91.000 HIS 26 0.900 20.387 59.933 24.054 -99.200 -91.000 PHE 39 1.000 33.514 58.216 21.439 -99.200 -91.000 TRP 47 1.040 38.837 60.873 15.628 -99.200 -91.000 TRP6 47 1.020 37.494 59.294 16.757 -99.200 -91.000 TYR 60 0.840 38.312 71.472 17.425 -99.200 -91.000 TYR 66 0.840 28.435 67.105 9.754 -99.200 -91.000 TYR 68 0.840 29.894 69.943 20.091 -99.200 -91.000 PHE 71 1.000 32.508 73.545 22.408 -99.200 -91.000 TRP 74 1.040 25.868 71.368 22.236 -99.200 -91.000 TRP6 74 1.020 27.012 70.351 24.033 -99.200 -91.000 TYR 78 0.840 21.656 72.666 24.511 -99.200 -91.000 PHE 90 1.000 40.457 64.198 30.824 -99.200 -91.000