============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TRP 7 1.040 21.923 20.122 -4.452 -99.200 -91.000 TRP6 7 1.020 20.182 21.687 -4.781 -99.200 -91.000 HIS 12 0.900 30.212 36.990 -15.693 -99.200 -91.000 HIS 23 0.900 17.895 17.635 -6.398 -99.200 -91.000 TYR 28 0.840 14.723 23.950 -5.847 -99.200 -91.000 TYR 44 0.840 25.699 34.149 3.040 -99.200 -91.000 PHE 45 1.000 23.739 29.688 -4.106 -99.200 -91.000 TRP 53 1.040 17.172 22.541 -1.112 -99.200 -91.000 TRP6 53 1.020 14.998 21.647 -1.266 -99.200 -91.000 HIS 59 0.900 30.293 18.780 -12.655 -99.200 -91.000 PHE 66 1.000 32.731 24.329 -6.421 -99.200 -91.000 TRP 75 1.040 36.358 20.332 7.628 -99.200 -91.000 TRP6 75 1.020 35.947 21.881 9.368 -99.200 -91.000 TRP 76 1.040 30.780 24.018 10.088 -99.200 -91.000 TRP6 76 1.020 28.424 24.045 9.884 -99.200 -91.000 PHE 83 1.000 36.515 15.178 -8.092 -99.200 -91.000 TYR 87 0.840 33.934 21.587 -19.131 -99.200 -91.000 HIS 108 0.900 16.640 47.963 -8.087 -99.200 -91.000 PHE 118 1.000 6.377 32.064 -7.971 -99.200 -91.000 HIS 120 0.900 13.709 25.873 -14.074 -99.200 -91.000 TYR 127 0.840 4.412 15.096 -9.527 -99.200 -91.000