============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 27 1.000 32.489 16.715 43.515 -99.200 -91.000 TYR 33 0.840 37.756 21.428 33.517 -99.200 -91.000 HIS 35 0.900 42.813 18.017 36.971 -99.200 -91.000 TRP 36 1.040 42.410 9.461 37.658 -99.200 -91.000 TRP6 36 1.020 42.289 7.986 39.503 -99.200 -91.000 TRP 47 1.040 47.473 16.911 35.621 -99.200 -91.000 TRP6 47 1.020 47.812 17.048 33.288 -99.200 -91.000 TYR 60 0.840 45.157 11.043 28.359 -99.200 -91.000 PHE 64 1.000 52.549 9.803 33.917 -99.200 -91.000 TYR 80 0.840 35.351 3.948 36.066 -99.200 -91.000 HIS 82 0.900 43.459 0.057 31.165 -99.200 -91.000 TYR 93 0.840 49.188 5.494 40.017 -99.200 -91.000 TYR 94 0.840 47.695 10.955 46.681 -99.200 -91.000 TYR 101 0.840 33.271 29.165 47.588 -99.200 -91.000 TYR 102 0.840 40.190 27.057 43.085 -99.200 -91.000 HIS 104 0.900 32.922 23.429 52.665 -99.200 -91.000 TYR 107 0.840 35.875 20.189 46.078 -99.200 -91.000 TRP 108 1.040 44.085 17.046 46.039 -99.200 -91.000 TRP6 108 1.020 46.077 16.068 45.213 -99.200 -91.000 TYR 127 0.840 67.906 -14.920 59.394 -99.200 -91.000 TYR 150 0.840 58.933 -7.874 54.883 -99.200 -91.000 PHE 151 1.000 55.709 -8.947 47.174 -99.200 -91.000 TRP 159 1.040 61.594 -4.600 69.744 -99.200 -91.000 TRP6 159 1.020 63.393 -6.127 69.595 -99.200 -91.000 HIS 169 0.900 64.823 4.777 67.325 -99.200 -91.000 PHE 171 1.000 66.620 1.920 61.658 -99.200 -91.000 TYR 180 0.840 58.755 -4.759 50.177 -99.200 -91.000 TRP 193 1.040 69.216 -8.812 77.183 -99.200 -91.000 TRP6 193 1.020 71.247 -9.109 76.004 -99.200 -91.000 HIS 204 0.900 54.341 -11.268 55.085 -99.200 -91.000