============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TRP 26 1.040 59.220 -34.732-125.137 -99.200 -91.000 TRP6 26 1.020 57.474 -33.918-123.752 -99.200 -91.000 PHE 27 1.000 61.510 -27.531-125.963 -99.200 -91.000 PHE 29 1.000 52.859 -25.982-125.522 -99.200 -91.000 TYR 35 0.840 62.926 -23.772-131.717 -99.200 -91.000 HIS 43 0.900 76.945 -24.320-122.391 -99.200 -91.000 HIS 46 0.900 71.952 -15.555-118.722 -99.200 -91.000 HIS 57 0.900 68.735 -15.454-121.508 -99.200 -91.000 PHE 58 1.000 67.889 -23.465-123.977 -99.200 -91.000 TYR 65 0.840 57.599 -15.602-121.978 -99.200 -91.000 HIS 67 0.900 53.676 -15.570-116.553 -99.200 -91.000 TYR 71 0.840 47.873 -22.898-115.814 -99.200 -91.000 TRP 74 1.040 60.386 -24.246-114.457 -99.200 -91.000 TRP6 74 1.020 61.412 -25.291-116.327 -99.200 -91.000 TYR 103 0.840 55.748 -32.572-114.301 -99.200 -91.000 HIS 119 0.900 56.787 -12.669-125.062 -99.200 -91.000 PHE 121 1.000 54.892 -10.515-118.595 -99.200 -91.000 PHE 148 1.000 53.350 3.317-113.899 -99.200 -91.000 PHE 153 1.000 48.747 3.364-103.828 -99.200 -91.000 PHE 162 1.000 54.186 0.786-109.569 -99.200 -91.000 TYR 169 0.840 53.339 -13.842-101.681 -99.200 -91.000 TRP 176 1.040 48.344 -5.726 -91.871 -99.200 -91.000 TRP6 176 1.020 50.388 -6.014 -90.730 -99.200 -91.000 HIS 184 0.900 44.064 5.295 -99.607 -99.200 -91.000 HIS 199 0.900 62.851 2.577 -97.942 -99.200 -91.000 PHE 207 1.000 61.516 -11.037 -93.974 -99.200 -91.000 TYR 209 0.840 65.559 -14.510-104.130 -99.200 -91.000 PHE 217 1.000 56.563 -13.578 -96.692 -99.200 -91.000 PHE 219 1.000 51.753 -15.846 -97.064 -99.200 -91.000 PHE 222 1.000 47.689 -14.956 -99.975 -99.200 -91.000 HIS 223 0.900 45.433 -17.894 -98.664 -99.200 -91.000 PHE 246 1.000 42.754 -6.018-100.379 -99.200 -91.000 TYR 247 0.840 42.722 -13.514 -97.906 -99.200 -91.000 TRP 248 1.040 39.860 -5.647 -95.880 -99.200 -91.000 TRP6 248 1.020 39.101 -3.663 -94.888 -99.200 -91.000 HIS 254 0.900 42.635 3.314 -90.936 -99.200 -91.000