============================================================================= 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 59.318 -34.745-125.361 -99.200 -91.000 TRP6 26 1.020 57.579 -33.956-123.956 -99.200 -91.000 PHE 27 1.000 61.457 -27.516-126.222 -99.200 -91.000 PHE 29 1.000 52.828 -26.157-125.770 -99.200 -91.000 TYR 35 0.840 62.847 -23.790-132.014 -99.200 -91.000 HIS 43 0.900 76.943 -24.163-122.686 -99.200 -91.000 HIS 46 0.900 71.895 -15.389-118.942 -99.200 -91.000 HIS 57 0.900 68.686 -15.408-121.803 -99.200 -91.000 PHE 58 1.000 67.893 -23.417-124.251 -99.200 -91.000 TYR 65 0.840 57.467 -15.659-122.254 -99.200 -91.000 HIS 67 0.900 53.555 -15.653-116.834 -99.200 -91.000 TYR 71 0.840 47.846 -23.065-116.033 -99.200 -91.000 TRP 74 1.040 60.422 -24.321-114.702 -99.200 -91.000 TRP6 74 1.020 61.458 -25.352-116.564 -99.200 -91.000 TYR 103 0.840 55.788 -32.644-114.509 -99.200 -91.000 HIS 119 0.900 56.709 -12.690-125.339 -99.200 -91.000 PHE 121 1.000 54.697 -10.612-118.946 -99.200 -91.000 PHE 148 1.000 53.120 3.276-114.147 -99.200 -91.000 PHE 153 1.000 48.625 3.261-104.032 -99.200 -91.000 PHE 162 1.000 54.046 0.742-109.810 -99.200 -91.000 TYR 169 0.840 53.241 -13.892-101.949 -99.200 -91.000 TRP 176 1.040 48.280 -5.858 -92.085 -99.200 -91.000 TRP6 176 1.020 50.332 -6.135 -90.950 -99.200 -91.000 HIS 184 0.900 44.025 5.207 -99.663 -99.200 -91.000 HIS 199 0.900 62.714 2.584 -98.240 -99.200 -91.000 PHE 207 1.000 61.444 -11.114 -94.275 -99.200 -91.000 TYR 209 0.840 65.469 -14.437-104.422 -99.200 -91.000 PHE 217 1.000 56.514 -13.563 -96.951 -99.200 -91.000 PHE 219 1.000 51.610 -15.939 -97.351 -99.200 -91.000 PHE 222 1.000 47.654 -15.077-100.274 -99.200 -91.000 HIS 223 0.900 45.346 -17.962 -99.092 -99.200 -91.000 PHE 246 1.000 42.665 -6.126-100.556 -99.200 -91.000 TYR 247 0.840 42.656 -13.668 -98.096 -99.200 -91.000 TRP 248 1.040 39.824 -5.786 -96.080 -99.200 -91.000 TRP6 248 1.020 39.087 -3.826 -95.048 -99.200 -91.000 HIS 254 0.900 42.295 3.095 -91.010 -99.200 -91.000