============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 4 1.000 45.935 25.490 -24.035 -99.200 -91.000 PHE 6 1.000 39.182 24.868 -27.575 -99.200 -91.000 PHE 9 1.000 35.677 28.748 -19.830 -99.200 -91.000 PHE 11 1.000 41.434 24.941 -21.608 -99.200 -91.000 HIS 38 0.900 47.720 18.342 -27.902 -99.200 -91.000 TYR 41 0.840 47.189 13.453 -15.303 -99.200 -91.000 PHE 44 1.000 45.573 21.395 -19.919 -99.200 -91.000 PHE 83 1.000 42.127 21.138 -23.892 -99.200 -91.000 PHE 98 1.000 29.550 26.374 -37.085 -99.200 -91.000 HIS 109 0.900 39.233 27.333 -32.262 -99.200 -91.000 HIS 114 0.900 27.267 20.698 -34.163 -99.200 -91.000 PHE 115 1.000 29.186 19.028 -30.017 -99.200 -91.000 PHE 123 1.000 25.989 19.714 -21.622 -99.200 -91.000 TRP 126 1.040 30.367 13.178 -20.786 -99.200 -91.000 TRP6 126 1.020 32.169 13.707 -22.232 -99.200 -91.000 HIS 130 0.900 25.236 5.813 -6.952 -99.200 -91.000