============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 5 0.840 36.066 -88.308 42.934 -99.200 -91.000 PHE 7 1.000 36.120 -87.340 37.285 -99.200 -91.000 PHE 12 1.000 48.027 -82.102 28.358 -99.200 -91.000 TYR 23 0.840 49.336 -76.497 40.829 -99.200 -91.000 TYR 75 0.840 61.738 -89.124 50.777 -99.200 -91.000 TYR 82 0.840 61.529 -93.208 49.712 -99.200 -91.000 HIS 94 0.900 61.663-109.684 44.331 -99.200 -91.000 TYR 97 0.840 64.937-108.100 34.571 -99.200 -91.000 TYR 101 0.840 63.977-111.515 31.545 -99.200 -91.000 TYR 104 0.840 67.418-109.362 43.225 -99.200 -91.000 PHE 130 1.000 53.044 -92.191 43.685 -99.200 -91.000 HIS 139 0.900 77.889-103.009 39.286 -99.200 -91.000 PHE 142 1.000 75.882-108.295 30.796 -99.200 -91.000 PHE 145 1.000 79.556 -99.142 40.812 -99.200 -91.000 TYR 148 0.840 69.386 -94.057 35.238 -99.200 -91.000 TYR 156 0.840 63.429 -93.223 32.804 -99.200 -91.000 PHE 157 1.000 65.141 -85.894 34.328 -99.200 -91.000 TRP 159 1.040 70.583 -86.225 37.360 -99.200 -91.000 TRP6 159 1.020 70.983 -84.076 36.499 -99.200 -91.000 PHE 174 1.000 80.770 -78.079 47.640 -99.200 -91.000 TRP 179 1.040 81.325 -86.125 39.204 -99.200 -91.000 TRP6 179 1.020 81.756 -86.205 36.878 -99.200 -91.000 HIS 190 0.900 86.036 -85.085 52.386 -99.200 -91.000 PHE 204 1.000 76.687 -82.781 57.932 -99.200 -91.000 TYR 223 0.840 73.256-117.116 50.461 -99.200 -91.000 PHE 234 1.000 71.231 -99.954 49.980 -99.200 -91.000