Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 FLAG polypeptide(L) 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.T2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 K 0.07 M 0.07 I 0.06 Q 0.03 C Shift Assignments>> C :: 175.276 CA :: 56.738 CB :: 30.019 CG :: 36.550 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.665 HA :: 4.419 HB2 :: 2.029 HB3 :: 2.166 HG2 :: 2.318 HG3 :: 2.318 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.764 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 E 0.25 M 0.22 I 0.01 C Shift Assignments>> C :: 175.685 CA :: 55.869 CB :: 32.620 CG :: 36.640 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.300 HA :: 4.764 HB2 :: 1.874 HB3 :: 1.927 HG2 :: 2.163 HG3 :: 2.163 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.560 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 174.684 CA :: 59.930 CB :: 39.789 CG1 :: 26.860 CG2 :: 17.992 CD1 :: 14.057 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.152 HA :: 4.282 HB :: 1.957 HG12 :: 1.239 HG13 :: 1.509 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 HD11 :: 1.005 HD12 :: 1.005 HD13 :: 1.005 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.648 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.14 C 0.03 L 0.02 C Shift Assignments>> C :: 178.094 CA :: 51.640 CB :: 20.158 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.316 HA :: 4.676 HB1 :: 1.347 HB2 :: 1.347 HB3 :: 1.347 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.410 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.26 G 0.19 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 173.916 CA :: 43.877 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.953 HA2 :: 3.572 HA3 :: 4.255 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.533 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.36 C 0.26 HN Overlap>> 1.T127 1.R125 1.T127 1.R125 C Shift Assignments>> C :: 177.406 CA :: 58.105 CB :: 39.548 CD1 :: 131.870 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.803 HA :: 4.541 HB2 :: 2.886 HB3 :: 3.510 HD1 :: 7.526 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.756 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Q 0.36 E 0.24 C Shift Assignments>> C :: 175.906 CA :: 58.503 CB :: 29.840 CG :: 34.182 CD :: 180.030 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.186 HA :: 4.004 HB2 :: 2.244 HB3 :: 2.375 HG2 :: 2.559 HG3 :: 2.667 HE21 :: 7.616 HE22 :: 7.154 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.959 NE2 :: 112.810 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 173.059 CA :: 59.416 CB :: 71.193 CG2 :: 21.624 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.695 HA :: 4.681 HB :: 4.246 HG21 :: 1.232 HG22 :: 1.232 HG23 :: 1.232 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 106.727 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.S11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> CA :: 54.416 CB :: 63.727 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.138 HA :: 2.120(S) HB2 :: 3.334 HB3 :: 3.379 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.247 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.P12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.56 V 0.21 K 0.15 L 0.02 R 0.01 C Shift Assignments>> C :: 174.083 CA :: 62.046 CB :: 28.530 CG :: 23.356 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.419 HB2 :: 0.369(S) HB3 :: 0.896 HD2 :: 2.922 HD3 :: 3.006 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.31 R 0.06 M 0.04 G 0.01 C Shift Assignments>> C :: 176.151 CA :: 61.375 CB :: 33.500 CG :: 23.820 CD :: 30.365 CE :: 41.880 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.783 HA :: 3.003 HB2 :: 1.206 HB3 :: 1.376 HG2 :: 1.010 HG3 :: 0.867 HD2 :: 1.456 HD3 :: 1.456 HE2 :: 2.645 HE3 :: 2.645 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.368 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.34 I 0.04 C 0.02 HN Overlap>> 1.L106 1.L106 C Shift Assignments>> C :: 181.055 CA :: 55.110 CB :: 17.803 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.611 HA :: 3.967 HB1 :: 1.292 HB2 :: 1.292 HB3 :: 1.292 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.037 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Q 0.37 E 0.2 C Shift Assignments>> C :: 178.957 CA :: 58.895 CB :: 28.530 CG :: 34.387 CD :: 179.802 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.027 HA :: 3.986 HB2 :: 1.835 HB3 :: 1.835 HG2 :: 2.222 HG3 :: 2.371 HE21 :: 7.340 HE22 :: 6.880 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.070 NE2 :: 111.200 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.V16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 177.056 CA :: 66.653 CB :: 31.466 CG1 :: 23.120 CG2 :: 21.720 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.058 HA :: 3.244 HB :: 1.815 HG11 :: -0.105(S) HG12 :: -0.105(S) HG13 :: -0.105(S) HG21 :: 0.961 HG22 :: 0.961 HG23 :: 0.961 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.198 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 Q 0.28 E 0.02 HN Overlap>> 1.S112 1.S112 C Shift Assignments>> C :: 177.388 CA :: 60.279 CB :: 27.450 CG :: 32.720 CD :: 178.665 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.456 HA :: 3.657 HB2 :: 2.002 HB3 :: 2.002 HG2 :: 2.011 HG3 :: 2.279 HE21 :: 7.950 HE22 :: 6.700 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.400 NE2 :: 112.700 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 180.516 CA :: 55.000 CB :: 18.060 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.587 HA :: 4.239 HB1 :: 1.474 HB2 :: 1.474 HB3 :: 1.474 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.638 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.43 C 0.04 I 0.01 V 0.01 L 0.01 C Shift Assignments>> C :: 181.603 CA :: 54.960 CB :: 19.220 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.889 HA :: 4.298 HB1 :: 1.406 HB2 :: 1.406 HB3 :: 1.406 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.702 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.46 Y 0.31 C 0.22 HN Overlap>> 1.S158 1.S158 C Shift Assignments>> C :: 178.904 CA :: 63.278 CB :: 39.844 CD1 :: 131.167 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.516 HA :: 4.548 HB2 :: 2.931 HB3 :: 2.983 HD1 :: 7.308 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.214 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 C 0.32 E 0.2 K 0.01 C Shift Assignments>> C :: 179.514 CA :: 60.481 CB :: 29.310 CG :: 37.490 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.644 HA :: 4.118 HB2 :: 2.077 HB3 :: 2.498 HG2 :: 2.309 HG3 :: 2.650 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.000 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.26 I 0.14 K 0.13 Q 0.09 M 0.01 R 0.01 C Shift Assignments>> C :: 178.977 CA :: 59.420 CB :: 28.773 CG :: 35.442 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.810 HA :: 4.287 HB2 :: 2.245 HB3 :: 2.245 HG2 :: 2.352 HG3 :: 2.461 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.227 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 HN Overlap>> 1.E122 1.L152 1.E122 1.L152 C Shift Assignments>> C :: 175.623 CA :: 65.484 CB :: 38.370 CG1 :: 29.118 CG2 :: 18.283 CD1 :: 13.870 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.869 HA :: 3.789 HB :: 2.230 HG12 :: 1.217 HG13 :: 1.871 HG21 :: 1.074 HG22 :: 1.074 HG23 :: 1.074 HD11 :: 0.894 HD12 :: 0.894 HD13 :: 0.894 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.742 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.3 I 0.05 C 0.03 C Shift Assignments>> C :: 179.330 CA :: 55.471 CB :: 18.052 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.698 HA :: 4.412 HB1 :: 1.839 HB2 :: 1.839 HB3 :: 1.839 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.550 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 K 0.1 G 0.08 C Shift Assignments>> C :: 178.353 CA :: 58.890 CB :: 30.880 CG :: 27.480 CD :: 43.410 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.942 HA :: 4.273 HB2 :: 2.020 HB3 :: 2.108 HG2 :: 1.749 HG3 :: 1.893 HD2 :: 3.295 HD3 :: 3.295 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.810 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) FLAG polypeptide(L) 1.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 K 0.1 G 0.07 C Shift Assignments>> C :: 177.223 CA :: 57.380 CB :: 30.525 CG :: 27.116 CD :: 43.360 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.922 HA :: 4.413 HB2 :: 1.961 HB3 :: 1.961 HG2 :: 1.740 HG3 :: 1.740 HD2 :: 3.209 HD3 :: 3.209 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.280 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) FLAG polypeptide(L) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.555 CA :: 59.416 CB :: 63.977 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.974 HA :: 4.478 HB2 :: 3.841 HB3 :: 3.801 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.990 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.M28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 A 0.23 M 0.04 I 0.03 C Shift Assignments>> C :: 175.558 CA :: 55.450 CB :: 32.272 CG :: 36.447 CE :: 16.756 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.993 HA :: 4.419 HB2 :: 1.843 HB3 :: 2.330 HG2 :: 2.185 HG3 :: 2.185 HE1 :: 1.772 HE2 :: 1.772 HE3 :: 1.772 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.399 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.H29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 H 0.14 W 0.13 E 0.13 C 0.12 Q 0.1 M 0.09 K 0.08 V 0.01 I 0.01 C Shift Assignments>> C :: 176.243 CA :: 56.530 CB :: 30.760 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.869 HA :: 4.508 HB2 :: 2.950 HB3 :: 3.157 HD2 :: 6.849 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.540 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 R 0.16 K 0.16 D 0.15 C 0.1 F 0.06 Y 0.04 N 0.02 G 0.01 C Shift Assignments>> C :: 175.897 CA :: 55.060 CB :: 42.440 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.330 HA :: 4.242 HB2 :: 3.033 HB3 :: 3.033 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.780 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.19 D 0.14 R 0.14 C 0.1 F 0.08 Y 0.06 N 0.01 C Shift Assignments>> C :: 178.473 CA :: 55.540 CB :: 42.150 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.520 HA :: 4.235 HB2 :: 1.482 HB3 :: 1.715 HD11 :: 0.966 HD12 :: 0.966 HD13 :: 0.966 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.540 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.029 CA :: 60.524 CB :: 63.470 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.544 HA :: 4.319 HB2 :: 3.815 HB3 :: 3.815 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.860 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.F33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.26 F 0.25 C 0.2 I 0.08 D 0.06 L 0.04 N 0.02 E 0.02 K 0.01 C Shift Assignments>> C :: 176.359 CA :: 57.524 CB :: 39.283 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> HA :: 4.748 HB2 :: 3.258 HB3 :: 3.258 HD1 :: 7.231 HE1 :: 7.168 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) FLAG polypeptide(L) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.27 R 0.07 G 0.02 C Shift Assignments>> CA :: 54.893 CB :: 42.352 CG :: 26.928 CD1 :: 25.087 CD2 :: 25.087 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.673 HA :: 4.250 HB2 :: 1.674 HB3 :: 1.674 HG :: 1.476 HD11 :: 0.976 HD12 :: 0.976 HD13 :: 0.976 HD21 :: 0.976 HD22 :: 0.976 HD23 :: 0.976 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.082 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.H35 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.46 C Shift Assignments>> CA :: 54.705 CB :: 41.155(A) CD2 :: 117.220 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.866 HA :: 4.582 HB2 :: 2.768 HB3 :: 2.635 HD2 :: 7.063 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.967 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.P36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 177.385 CA :: 64.327 CB :: 32.442 CG :: 26.960 CD :: 50.173 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.364 HB2 :: 1.979 HB3 :: 2.282 HG2 :: 1.850 HG3 :: 1.850 HD2 :: 2.680 HD3 :: 3.107 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.493 CA :: 57.918 CB :: 64.645 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.764 HA :: 4.698 HB2 :: 3.835 HB3 :: 3.957 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.100 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.M38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 C 0.26 M 0.24 C Shift Assignments>> CA :: 51.931 CB :: 30.421 CE :: 16.756 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.263 HA :: 4.652 HB2 :: 0.945 HB3 :: 1.545 HG2 :: 1.362 HE1 :: 0.764 HE2 :: 0.764 HE3 :: 0.764 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 125.475 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 175.622 CA :: 62.033 CB :: 32.200 CG :: 27.412 CD :: 50.820 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.570 HB2 :: 1.820 HB3 :: 2.236 HG2 :: 1.962 HG3 :: 1.962 HD2 :: 3.865 HD3 :: 3.733 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 176.466 CA :: 62.850 CB :: 32.027 CG1 :: 21.990 CG2 :: 21.990 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.865 HA :: 4.470 HB :: 2.245 HG11 :: 1.007 HG12 :: 1.007 HG13 :: 1.007 HG21 :: 0.878 HG22 :: 0.878 HG23 :: 0.878 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.010 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 171.679 CA :: 58.648 CB :: 40.453 CD1 :: 132.570 CE1 :: 118.270 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.747 HA :: 4.638 HB2 :: 2.676 HB3 :: 2.835 HD1 :: 6.927 HE1 :: 6.660 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 130.639 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 174.281 CA :: 59.625 CB :: 34.225 CG1 :: 22.140 CG2 :: 22.514 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.001 HA :: 4.358 HB :: 1.620 HG11 :: 0.715 HG12 :: 0.715 HG13 :: 0.715 HG21 :: 0.981 HG22 :: 0.981 HG23 :: 0.981 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.943 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.89 T 0.1 C Shift Assignments>> C :: 172.778 CA :: 58.784 CB :: 65.950 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.468 HA :: 4.060 HB2 :: 3.629 HB3 :: 3.629 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.006 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.17 D 0.16 L 0.15 Y 0.14 C 0.13 K 0.13 N 0.03 R 0.02 I 0.02 C Shift Assignments>> C :: 173.969 CA :: 56.360 CB :: 40.785 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.370 HA :: 4.468 HB2 :: 2.466 HB3 :: 2.641 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.108 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 C 0.28 Y 0.27 C Shift Assignments>> C :: 175.916 CA :: 55.221 CB :: 41.198 CD1 :: 130.350 CE1 :: 130.350 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.638 HA :: 5.801 HB2 :: 3.092 HB3 :: 3.234 HD1 :: 6.914 HE1 :: 6.782 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.901 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.952 CA :: 62.136 CB :: 71.450 CG2 :: 21.467 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.559 HA :: 4.810 HB :: 3.850 HG21 :: 1.365 HG22 :: 1.365 HG23 :: 1.365 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.800 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.64 C 0.28 R 0.02 A 0.02 G 0.01 C Shift Assignments>> C :: 176.783 CA :: 55.225 CB :: 42.229 CG :: 26.602 CD1 :: 24.272 CD2 :: 23.290 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.211 HA :: 4.629 HB2 :: 1.138 HB3 :: 1.368 HG :: 0.843 HD11 :: 0.197 HD12 :: 0.197 HD13 :: 0.197 HD21 :: -0.413(S) HD22 :: -0.413(S) HD23 :: -0.413(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 131.280 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 Y 0.35 C 0.25 G 0.02 C Shift Assignments>> C :: 174.596 CA :: 58.657 CB :: 42.378 CD1 :: 131.753 CE1 :: 131.753 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.274 HA :: 4.647 HB2 :: 2.930 HB3 :: 3.087 HD1 :: 7.310 HE1 :: 7.476 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.100 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.E49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 E 0.21 I 0.12 K 0.09 Q 0.05 R 0.01 C Shift Assignments>> C :: 176.365 CA :: 57.083 CB :: 26.977 CG :: 36.144 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.021 HA :: 3.471 HB2 :: 1.446 HB3 :: 1.961 HG2 :: 1.279(S) HG3 :: 1.442(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 128.200 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 173.255 CA :: 45.231 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.315 HA2 :: 3.290 HA3 :: 3.998 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.616 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.47 C 0.44 E 0.07 C Shift Assignments>> C :: 176.240 CA :: 52.716 CB :: 30.500 CG :: 33.293 CD :: 180.218 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.810 HA :: 4.660 HB2 :: 2.073 HB3 :: 2.670 HG2 :: 2.510 HG3 :: 2.705 HE21 :: 7.340 HE22 :: 6.710 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.489 NE2 :: 109.270 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.W52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 C 0.13 W 0.13 E 0.12 M 0.12 H 0.11 K 0.1 Q 0.07 V 0.02 I 0.01 C Shift Assignments>> C :: 175.718 CA :: 57.183 CB :: 31.300 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.514 HA :: 4.700 HB2 :: 2.063 HB3 :: 3.077 HD1 :: 7.447 HE1 :: 10.478 HZ2 :: 7.097 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.109 NE1 :: 129.583 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) FLAG polypeptide(L) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.25 C Shift Assignments>> C :: 173.097 CA :: 60.720 CB :: 72.500 CG2 :: 21.917 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.900 HA :: 5.720 HB :: 4.218 HG21 :: 1.457 HG22 :: 1.457 HG23 :: 1.457 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.750 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 171.476 CA :: 45.236 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.621 HA2 :: 3.500 HA3 :: 4.370 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.261 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.C55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Q 0.18 K 0.16 M 0.15 E 0.08 W 0.04 V 0.04 R 0.03 H 0.03 Y 0.01 C Shift Assignments>> C :: 171.113 CA :: 57.516 CB :: 34.008 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.860 HA :: 5.810 HB2 :: 2.846 HB3 :: 2.973 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 115.990 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.26 I 0.01 C Shift Assignments>> C :: 171.920 CA :: 59.264 CB :: 35.665 CG1 :: 19.806 CG2 :: 21.700 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.987 HA :: 4.881 HB :: 1.545 HG11 :: 0.368 HG12 :: 0.368 HG13 :: 0.368 HG21 :: 0.474 HG22 :: 0.474 HG23 :: 0.474 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.661 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.48 C Shift Assignments>> C :: 172.036 CA :: 59.670 CB :: 40.747 CG1 :: 30.103 CG2 :: 17.470 CD1 :: 14.400 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.247 HA :: 5.304 HB :: 2.212 HG12 :: 1.077 HG13 :: 1.642 HG21 :: 0.970 HG22 :: 0.970 HG23 :: 0.970 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.475 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.66 C 0.29 A 0.03 C Shift Assignments>> C :: 172.660 CA :: 58.011 CB :: 70.930 CG2 :: 21.653 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.354 HA :: 4.366 HB :: 3.125 HG21 :: 0.518 HG22 :: 0.518 HG23 :: 0.518 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.935 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.P59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 176.243 CA :: 65.237 CB :: 32.480 CG :: 27.800 CD :: 50.240 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.330 HB2 :: 2.129 HB3 :: 3.007 HG2 :: 2.356 HG3 :: 2.667 HD2 :: 3.510 HD3 :: 3.600 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.W60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 H 0.26 W 0.25 C Shift Assignments>> C :: 174.009 CA :: 57.834 CB :: 31.442 CD1 :: 128.800 CZ2 :: 115.113 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.340 HA :: 5.303 HB2 :: 3.092 HB3 :: 3.583 HD1 :: 7.222 HE1 :: 10.667 HZ2 :: 7.724 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 112.973 NE1 :: 132.279 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) FLAG polypeptide(L) 1.M61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.38 A 0.2 C Shift Assignments>> C :: 176.237 CA :: 55.724 CB :: 34.547 CG :: 31.544 CE :: 18.660 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.150 HA :: 4.938 HB2 :: 1.943 HB3 :: 2.508 HG2 :: 2.007 HG3 :: 2.110 HE1 :: 1.884 HE2 :: 1.884 HE3 :: 1.884 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.312 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 C 0.38 L 0.08 R 0.05 C Shift Assignments>> C :: 176.864 CA :: 55.079 CB :: 45.825 CG :: 29.056 CD1 :: 25.916 CD2 :: 25.916 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.497 HA :: 5.440 HB2 :: 1.403 HB3 :: 1.830 HG :: 1.596 HD11 :: 0.933 HD12 :: 0.933 HD13 :: 0.933 HD21 :: 0.933 HD22 :: 0.933 HD23 :: 0.933 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.370 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.72 T 0.27 C Shift Assignments>> C :: 172.840 CA :: 57.845 CB :: 66.710 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.521 HA :: 5.441 HB2 :: 3.480 HB3 :: 3.823 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.456 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.12 C 0.03 L 0.01 C Shift Assignments>> C :: 176.787 CA :: 51.289 CB :: 20.158 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.967 HA :: 5.564 HB1 :: 1.453 HB2 :: 1.453 HB3 :: 1.453 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.950 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.V65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.79 I 0.13 V 0.05 A 0.02 C Shift Assignments>> C :: 173.715 CA :: 58.830 CB :: 36.797 CG1 :: 19.429 CG2 :: 23.328 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.420 HA :: 6.105(S) HB :: 2.450 HG11 :: 0.958 HG12 :: 0.958 HG13 :: 0.958 HG21 :: 1.165 HG22 :: 1.165 HG23 :: 1.165 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.048 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.39 C Shift Assignments>> C :: 175.475 CA :: 59.670 CB :: 41.620 CG1 :: 27.164 CG2 :: 18.043 CD1 :: 12.690 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.734 HA :: 5.530 HB :: 1.609 HG12 :: 1.076 HG13 :: 1.207 HG21 :: 1.052 HG22 :: 1.052 HG23 :: 1.052 HD11 :: 0.294 HD12 :: 0.294 HD13 :: 0.294 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.308 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.17 R 0.15 D 0.14 C 0.1 F 0.07 Y 0.05 N 0.01 C Shift Assignments>> CA :: 55.350 CB :: 42.278 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.420 HB2 :: 2.596 HB3 :: 3.011 HD1 :: 7.310 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.046 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.42 C 0.4 R 0.12 K 0.04 C Shift Assignments>> C :: 178.162 CA :: 62.830 CB :: 28.590 CG :: 26.960 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.291 HB2 :: 1.220 HB3 :: 1.220 HG2 :: 0.993 HG3 :: 0.993 HD2 :: 3.576 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.23 R 0.22 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.275 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.041 HA2 :: 4.258 HA3 :: 4.258 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.687 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 178.394 CA :: 64.480 CB :: 32.438 CG :: 26.700 CD :: 50.720 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.810 HB2 :: 1.920 HB3 :: 2.389 HG2 :: 2.409 HG3 :: 2.409 HD2 :: 3.132 HD3 :: 3.070 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 F 0.18 Y 0.17 C 0.16 L 0.11 N 0.08 K 0.04 I 0.02 C Shift Assignments>> C :: 175.002 CA :: 55.907 CB :: 40.033 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.074 HA :: 4.387 HB2 :: 2.832 HB3 :: 2.934 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.800 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.35 E 0.23 C Shift Assignments>> C :: 175.927 CA :: 55.514 CB :: 31.020 CG :: 33.968 CD :: 180.630 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.781 HA :: 4.414 HB2 :: 2.110 HB3 :: 2.110 HG2 :: 2.143 HG3 :: 2.364 HE21 :: 7.387 HE22 :: 6.836 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.160 NE2 :: 113.560 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.2 G 0.2 A 0.01 R 0.01 HN Overlap>> 1.V79 1.V79 C Shift Assignments>> C :: 176.837 CA :: 53.792 CB :: 43.905 CG :: 26.963 CD1 :: 23.810 CD2 :: 23.810 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.521 HA :: 5.097 HB2 :: 1.306 HB3 :: 1.627 HG :: 1.487 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 HD21 :: 0.835 HD22 :: 0.835 HD23 :: 0.835 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.831 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.W74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.43 C 0.42 W 0.13 C Shift Assignments>> CA :: 52.642 CB :: 30.125 CD1 :: 123.316 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.293 HA :: 5.334 HB2 :: 3.114 HB3 :: 3.227 HD1 :: 7.108 HE1 :: 9.726 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 125.620 NE1 :: 127.350 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) FLAG polypeptide(L) 1.P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 175.844 CA :: 62.030 CB :: 31.935 CG :: 27.220 CD :: 50.664 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.684 HB2 :: 1.820 HB3 :: 2.275 HG2 :: 2.001 HG3 :: 2.001 HD2 :: 3.462 HD3 :: 3.837 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.33 R 0.05 G 0.01 C Shift Assignments>> C :: 177.148 CA :: 56.328 CB :: 42.041 CG :: 27.285 CD1 :: 24.340 CD2 :: 24.340 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.235 HA :: 4.179 HB2 :: 1.427 HB3 :: 1.697 HG :: 1.560 HD11 :: 0.979 HD12 :: 0.979 HD13 :: 0.979 HD21 :: 0.979 HD22 :: 0.979 HD23 :: 0.979 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.980 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.07 G 0.02 C Shift Assignments>> C :: 179.550 CA :: 54.700 CB :: 34.470 CG :: 29.138 CD :: 42.365 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.647 HA :: 4.699 HB2 :: 1.983 HB3 :: 1.568 HG2 :: 1.706 HG3 :: 1.706 HD2 :: 3.022 HD3 :: 3.022 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 129.094 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) FLAG polypeptide(L) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.34 R 0.18 M 0.03 G 0.01 HN Overlap>> 1.M133 1.Q86 1.M133 1.Q86 1.I120 1.I120 C Shift Assignments>> C :: 176.315 CA :: 55.404 CB :: 32.980 CG :: 24.869 CD :: 29.011 CE :: 42.300 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.664 HA :: 4.411 HB2 :: 1.765 HB3 :: 1.765 HG2 :: 1.469 HG3 :: 1.532 HD2 :: 1.707 HD3 :: 1.707 HE2 :: 3.021 HE3 :: 3.021 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.153 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 HN Overlap>> 1.L73 1.L73 C Shift Assignments>> C :: 177.600 CA :: 65.256 CB :: 31.410 CG1 :: 21.336 CG2 :: 22.770 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.438 HA :: 3.411 HB :: 2.019 HG11 :: 1.132 HG12 :: 1.132 HG13 :: 1.132 HG21 :: 1.054 HG22 :: 1.054 HG23 :: 1.054 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.836 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.091 CA :: 62.390 CB :: 62.550 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.898 HA :: 3.997 HB2 :: 4.074 HB3 :: 4.367 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.803 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.36 I 0.13 M 0.05 K 0.02 C Shift Assignments>> C :: 175.009 CA :: 57.917 CB :: 30.628 CG :: 37.430 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.998 HA :: 4.263 HB2 :: 2.028 HB3 :: 2.247 HG2 :: 2.325 HG3 :: 2.409 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.578 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.35 R 0.21 M 0.02 G 0.01 C Shift Assignments>> C :: 176.901 CA :: 54.920 CB :: 34.443 CG :: 25.101 CD :: 29.318 CE :: 42.339 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.399 HA :: 5.386 HB2 :: 1.558 HB3 :: 1.776 HG2 :: 1.464 HG3 :: 1.554 HD2 :: 1.666 HD3 :: 1.600 HE2 :: 3.026 HE3 :: 3.026 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.218 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.4 C Shift Assignments>> C :: 174.593 CA :: 59.404 CB :: 41.591 CG1 :: 26.963 CG2 :: 16.820 CD1 :: 12.750 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.343 HA :: 4.420 HB :: 1.673 HG12 :: 1.041 HG13 :: 1.231 HG21 :: 0.729 HG22 :: 0.729 HG23 :: 0.729 HD11 :: 0.630 HD12 :: 0.630 HD13 :: 0.630 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.931 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.134 CA :: 45.216 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.766 HA2 :: 3.522 HA3 :: 4.390 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.144 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 C 0.31 L 0.27 C Shift Assignments>> C :: 175.098 CA :: 54.201 CB :: 46.330 CG :: 27.225 CD1 :: 24.346 CD2 :: 25.390 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.062 HA :: 4.729 HB2 :: 1.520 HB3 :: 1.520 HG :: 1.450 HD11 :: 0.601 HD12 :: 0.601 HD13 :: 0.601 HD21 :: 0.430 HD22 :: 0.430 HD23 :: 0.430 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.300 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 C 0.39 E 0.18 HN Overlap>> 1.M133 1.M133 1.K78 1.I120 1.K78 1.I120 C Shift Assignments>> C :: 174.761 CA :: 55.752 CB :: 28.698 CG :: 33.799 CD :: 180.546 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.666 HA :: 4.546 HB2 :: 2.023 HB3 :: 2.083 HG2 :: 2.247 HG3 :: 2.330 HE21 :: 7.560 HE22 :: 6.820 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.110 NE2 :: 112.160 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.36 R 0.16 K 0.04 A 0.02 HN Overlap>> 1.A162 1.A162 C Shift Assignments>> CA :: 53.386 CB :: 41.304 CG :: 29.045 CD1 :: 25.916 CD2 :: 23.916 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.965 HA :: 4.718 HB2 :: 1.958 HB3 :: 1.851 HG :: 1.730 HD11 :: 1.044 HD12 :: 1.044 HD13 :: 1.044 HD21 :: 0.866 HD22 :: 0.866 HD23 :: 0.866 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.540 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.P88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.22 G 0.02 C Shift Assignments>> C :: 178.584 CA :: 66.040 CB :: 31.620 CG :: 29.056 CD :: 49.209 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.164 HB2 :: 1.480 HB3 :: 2.167 HG2 :: 2.009 HG3 :: 1.742 HD2 :: 3.651 HD3 :: 3.035 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.Y89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 175.127 CA :: 59.726 CB :: 41.163 CD1 :: 133.270 CE1 :: 117.800 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 6.719 HA :: 4.229 HB2 :: 2.505 HB3 :: 3.675 HD1 :: 7.051 HE1 :: 6.779 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 112.123 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.27 R 0.26 L 0.25 C 0.1 F 0.03 D 0.03 Y 0.01 K 0.01 C Shift Assignments>> C :: 172.345 CA :: 44.090 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.453 HA2 :: 3.802 HA3 :: 4.197 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.158 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.244 CA :: 63.210 CB :: 68.764 CG2 :: 21.700 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.405 HA :: 4.814 HB :: 4.031 HG21 :: 1.131 HG22 :: 1.131 HG23 :: 1.131 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.590 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.M92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 A 0.34 M 0.07 I 0.03 HN Overlap>> 1.V96 1.V96 C Shift Assignments>> C :: 174.454 CA :: 54.980 CB :: 39.000 CG :: 32.087 CE :: 17.279 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.050 HA :: 4.717 HB2 :: 1.980 HB3 :: 2.142 HG2 :: 2.463 HG3 :: 2.569 HE1 :: 1.947 HE2 :: 1.947 HE3 :: 1.947 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 127.943 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 174.117 CA :: 63.246 CB :: 68.360 CG2 :: 22.120 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.747 HA :: 4.734 HB :: 3.996 HG21 :: 1.131 HG22 :: 1.131 HG23 :: 1.131 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.176 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.F94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 C 0.29 F 0.28 G 0.09 C Shift Assignments>> C :: 174.512 CA :: 56.600 CB :: 43.200 CD1 :: 131.870 CE1 :: 131.870 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.565 HA :: 4.749 HB2 :: 2.830 HB3 :: 3.005 HD1 :: 7.021 HE1 :: 7.168 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 129.352 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.T95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 175.305 CA :: 61.093 CB :: 71.340 CG2 :: 21.479 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.717 HA :: 5.211 HB :: 3.931 HG21 :: 1.182 HG22 :: 1.182 HG23 :: 1.182 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.246 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 HN Overlap>> 1.M92 1.M92 C Shift Assignments>> C :: 176.341 CA :: 63.520 CB :: 31.330 CG1 :: 21.728 CG2 :: 22.514 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.028 HA :: 4.237 HB :: 2.261 HG11 :: 0.747 HG12 :: 0.747 HG13 :: 0.747 HG21 :: 0.843 HG22 :: 0.843 HG23 :: 0.843 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.968 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.27 G 0.15 C 0.09 D 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 171.466 CA :: 43.750 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.018 HA2 :: 3.233 HA3 :: 4.640 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 119.417 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.23 M 0.22 Q 0.01 I 0.01 C Shift Assignments>> C :: 174.515 CA :: 56.606 CB :: 33.000 CG :: 36.340 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.749 HA :: 4.889 HB2 :: 1.982 HB3 :: 2.053 HG2 :: 2.178 HG3 :: 2.178 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.804 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.16 G 0.12 R 0.02 A 0.02 C Shift Assignments>> C :: 175.946 CA :: 52.817 CB :: 43.280 CG :: 26.178 CD1 :: 25.116 CD2 :: 23.925 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.998 HA :: 4.783 HB2 :: 1.427 HB3 :: 1.588 HG :: 1.336 HD11 :: 0.435 HD12 :: 0.435 HD13 :: 0.435 HD21 :: 0.295 HD22 :: 0.295 HD23 :: 0.295 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.497 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.17 D 0.15 C 0.15 L 0.13 K 0.1 N 0.04 I 0.02 R 0.01 C Shift Assignments>> C :: 176.753 CA :: 56.490 CB :: 40.505 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.114 HA :: 4.329 HB2 :: 2.634 HB3 :: 2.634 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 129.122 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.117 CA :: 45.568 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.808 HA2 :: 3.759 HA3 :: 4.205 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.632 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 173.648 CA :: 63.537 CB :: 33.500 CG1 :: 21.460 CG2 :: 21.990 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.177 HA :: 4.341 HB :: 1.948 HG11 :: 0.647 HG12 :: 0.647 HG13 :: 0.647 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.643 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 C Shift Assignments>> C :: 175.995 CA :: 59.577 CB :: 65.584 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.863 HA :: 4.799 HB2 :: 4.305 HB3 :: 4.320 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.706 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.Q104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.35 Q 0.23 HN Overlap>> 1.M111 1.M111 C Shift Assignments>> C :: 175.083 CA :: 58.245 CB :: 29.722 CG :: 35.370 CD :: 179.977 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.727 HA :: 5.411 HB2 :: 2.254 HB3 :: 2.254 HG2 :: 2.408 HG3 :: 2.875 HE21 :: 7.720 HE22 :: 7.470 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.876 NE2 :: 110.490 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.Y105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 172.148 CA :: 55.731 CB :: 40.401 CD1 :: 133.970 CE1 :: 117.100 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.832 HA :: 5.111 HB2 :: 1.970 HB3 :: 2.400 HD1 :: 6.830 HE1 :: 6.670 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.623 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 G 0.25 C 0.14 R 0.02 A 0.01 HN Overlap>> 1.A14 1.E121 1.A14 1.E121 C Shift Assignments>> C :: 176.562 CA :: 52.453 CB :: 43.929 CG :: 26.700 CD1 :: 25.390 CD2 :: 24.080 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.686 HA :: 5.160 HB2 :: 1.310 HB3 :: 1.628 HG :: 1.618 HD11 :: 0.309 HD12 :: 0.309 HD13 :: 0.309 HD21 :: 0.579 HD22 :: 0.579 HD23 :: 0.579 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.030 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.S107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.71 T 0.28 C Shift Assignments>> C :: 173.874 CA :: 56.677 CB :: 66.931 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.121 HA :: 6.018(S) HB2 :: 3.913 HB3 :: 3.988 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.413 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.C108 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.16 K 0.13 Q 0.12 C 0.11 W 0.1 H 0.09 E 0.08 L 0.08 I 0.07 M 0.01 C Shift Assignments>> C :: 174.117 CA :: 57.840 CB :: 27.779 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.318 HA :: 4.634 HB2 :: 1.167(S) HB3 :: 1.928 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 126.488 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.527 CA :: 59.404 CB :: 63.340 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.963 HA :: 4.540 HB2 :: 3.853 HB3 :: 3.853 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 124.768 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.3 G 0.02 R 0.01 A 0.01 C Shift Assignments>> C :: 177.576 CA :: 55.490 CB :: 42.278 CG :: 26.793 CD1 :: 23.610 CD2 :: 23.610 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.411 HA :: 4.535 HB2 :: 1.593 HB3 :: 1.593 HG :: 1.469 HD11 :: 0.750 HD12 :: 0.750 HD13 :: 0.750 HD21 :: 0.750 HD22 :: 0.750 HD23 :: 0.750 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.060 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.M111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 K 0.05 M 0.03 HN Overlap>> 1.Q104 1.Q104 C Shift Assignments>> C :: 174.322 CA :: 56.293 CB :: 36.900 CG :: 31.310 CE :: 26.430 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.782 HA :: 4.486 HB2 :: 1.887 HB3 :: 2.052 HG2 :: 2.438 HG3 :: 2.485 HE1 :: 0.773 HE2 :: 0.773 HE3 :: 0.773 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.783 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Q17 1.Q17 C Shift Assignments>> CA :: 57.584 CB :: 64.509 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.431 HA :: 4.290 HB2 :: 3.731 HB3 :: 4.155 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.432 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.P113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.63 P 0.35 C Shift Assignments>> C :: 176.153 CA :: 63.220 CB :: 34.540 CG :: 24.800 CD :: 50.155 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HB2 :: 2.290 HB3 :: 2.390 HG2 :: 1.708 HG3 :: 1.845 HD2 :: 3.640 HD3 :: 3.498 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.26 G 0.14 A 0.1 C Shift Assignments>> C :: 177.922 CA :: 54.403 CB :: 43.410 CG :: 26.036 CD1 :: 22.425 CD2 :: 22.425 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.997 HA :: 4.315 HB2 :: 1.782 HB3 :: 1.527 HG :: 0.901 HD11 :: 0.723 HD12 :: 0.723 HD13 :: 0.723 HD21 :: 0.723 HD22 :: 0.723 HD23 :: 0.723 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.254 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.330 CA :: 57.969 CB :: 63.393 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.960 HA :: 4.417 HB2 :: 3.806 HB3 :: 4.005 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.640 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.H116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.14 E 0.14 R 0.13 H 0.13 C 0.12 Q 0.11 K 0.08 M 0.05 I 0.02 V 0.01 C Shift Assignments>> C :: 175.123 CA :: 57.576 CB :: 30.100 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.151 HB2 :: 3.038 HB3 :: 3.079 HD2 :: 7.239 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) FLAG polypeptide(L) 1.S117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.644 CA :: 58.360 CB :: 63.246 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.931 HA :: 4.337 HB2 :: 3.800 HB3 :: 3.950 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.560 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.M118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.4 I 0.03 C Shift Assignments>> C :: 176.323 CA :: 56.690 CB :: 34.822 CG :: 31.150 CE :: 13.870 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.423 HA :: 4.334 HB2 :: 1.987 HB3 :: 2.101 HG2 :: 2.459 HG3 :: 2.691 HE1 :: 1.365 HE2 :: 1.365 HE3 :: 1.365 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.370 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 175.103 CA :: 57.060 CB :: 65.584 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.906 HA :: 4.688 HB2 :: 4.102 HB3 :: 4.441 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 124.070 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.I120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.36 HN Overlap>> 1.Q86 1.K78 1.Q86 1.K78 C Shift Assignments>> C :: 178.001 CA :: 66.310 CB :: 32.949 CG1 :: 29.144 CG2 :: 16.723 CD1 :: 13.721 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.674 HA :: 3.587 HB :: 1.683 HG12 :: 1.074 HG13 :: 1.074 HG21 :: 0.761 HG22 :: 0.761 HG23 :: 0.761 HD11 :: 0.934 HD12 :: 0.934 HD13 :: 0.934 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.201 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 I 0.32 E 0.27 K 0.04 Q 0.01 HN Overlap>> 1.L106 1.L106 C Shift Assignments>> C :: 179.396 CA :: 60.129 CB :: 29.074 CG :: 36.622 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.661 HA :: 3.844 HB2 :: 1.869 HB3 :: 2.016 HG2 :: 2.239 HG3 :: 2.314 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.920 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.34 I 0.2 K 0.05 M 0.02 Q 0.01 HN Overlap>> 1.I23 1.I23 1.L152 1.L152 C Shift Assignments>> C :: 179.396 CA :: 59.150 CB :: 29.600 CG :: 36.627 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.898 HA :: 3.925 HB2 :: 1.914 HB3 :: 2.216 HG2 :: 2.240 HG3 :: 2.313 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.788 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 C 0.27 P 0.12 A 0.06 N 0.02 L 0.01 HN Overlap>> 1.G148 1.G148 C Shift Assignments>> C :: 176.152 CA :: 47.863 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.492 HA2 :: 3.615 HA3 :: 3.811 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.020 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.Q124 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.56 Q 0.37 E 0.05 C Shift Assignments>> C :: 176.966 CA :: 59.747 CB :: 27.021 CG :: 33.500 CD :: 179.580 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.270 HA :: 3.427 HB2 :: 1.642 HB3 :: 1.150 HG2 :: 1.974 HG3 :: 1.151(S) HE21 :: 6.900 HE22 :: 6.600 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.600 NE2 :: 109.530 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.R125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.09 K 0.05 HN Overlap>> 1.T127 1.T127 1.F8 1.F8 C Shift Assignments>> C :: 178.789 CA :: 59.270 CB :: 30.137 CG :: 26.960 CD :: 43.436 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.863 HA :: 4.055 HB2 :: 1.884 HB3 :: 1.884 HG2 :: 1.672 HG3 :: 1.672 HD2 :: 3.211 HD3 :: 3.211 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.756 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) FLAG polypeptide(L) 1.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.33 R 0.06 G 0.02 C Shift Assignments>> C :: 178.958 CA :: 57.726 CB :: 42.285 CG :: 26.492 CD1 :: 25.390 CD2 :: 25.390 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.494 HA :: 4.217 HB2 :: 1.729 HB3 :: 1.803 HG :: 1.614 HD11 :: 0.817 HD12 :: 0.817 HD13 :: 0.817 HD21 :: 0.817 HD22 :: 0.817 HD23 :: 0.817 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.270 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 HN Overlap>> 1.R125 1.F8 1.R125 1.F8 C Shift Assignments>> C :: 176.172 CA :: 68.808 CB :: 67.739 CG2 :: 21.851 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.779 HA :: 3.598 HB :: 4.484 HG21 :: 1.066 HG22 :: 1.066 HG23 :: 1.066 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.831 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.D128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.23 C 0.17 L 0.08 I 0.07 D 0.07 K 0.06 N 0.01 C Shift Assignments>> C :: 179.716 CA :: 57.783 CB :: 40.149 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.060 HA :: 4.424 HB2 :: 2.732 HB3 :: 2.937 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.615 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.D129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.23 C 0.17 L 0.08 D 0.08 I 0.06 K 0.06 N 0.01 C Shift Assignments>> C :: 180.232 CA :: 57.635 CB :: 40.223 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.043 HA :: 4.511 HB2 :: 2.658 HB3 :: 2.956 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.515 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.C130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.49 I 0.42 C 0.04 V 0.01 W 0.01 C Shift Assignments>> C :: 175.644 CA :: 64.910 CB :: 27.601 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.155 HA :: 4.136 HB2 :: 2.568 HB3 :: 3.180 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.670 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.A131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.25 I 0.06 C 0.03 C Shift Assignments>> C :: 179.018 CA :: 55.750 CB :: 17.800 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.799 HA :: 4.024 HB1 :: 1.696 HB2 :: 1.696 HB3 :: 1.696 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.055 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.R132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 K 0.1 G 0.07 C Shift Assignments>> C :: 179.493 CA :: 58.264 CB :: 30.151 CG :: 27.748 CD :: 43.401 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.087 HA :: 4.159 HB2 :: 1.904 HB3 :: 1.985 HG2 :: 1.896 HG3 :: 1.699 HD2 :: 3.301 HD3 :: 3.301 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 114.942 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) FLAG polypeptide(L) 1.M133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.43 I 0.04 HN Overlap>> 1.Q86 1.K78 1.Q86 1.K78 C Shift Assignments>> C :: 180.245 CA :: 59.154 CB :: 34.020 CG :: 31.643 CE :: 17.017 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.627 HA :: 3.985 HB2 :: 2.070 HB3 :: 2.146 HG2 :: 2.493 HG3 :: 2.493 HE1 :: 2.000 HE2 :: 2.000 HE3 :: 2.000 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.080 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.I134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 174.721 CA :: 65.413 CB :: 37.436 CG1 :: 25.362 CG2 :: 17.196 CD1 :: 13.670 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.899 HA :: 3.857 HB :: 1.993 HG12 :: 1.280 HG13 :: 1.599 HG21 :: 0.743 HG22 :: 0.743 HG23 :: 0.743 HD11 :: 0.816 HD12 :: 0.816 HD13 :: 0.816 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 111.186 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.L135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 A 0.32 C 0.21 R 0.03 C Shift Assignments>> C :: 175.747 CA :: 53.396 CB :: 41.538 CG :: 26.910 CD1 :: 25.692 CD2 :: 21.300 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.606 HA :: 4.198 HB2 :: 1.742 HB3 :: 1.742 HG :: 1.643 HD11 :: 1.003 HD12 :: 1.003 HD13 :: 1.003 HD21 :: 0.487 HD22 :: 0.487 HD23 :: 0.487 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.674 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.S136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.803 CA :: 57.846 CB :: 63.982 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.841 HA :: 4.490 HB2 :: 3.836 HB3 :: 4.004 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.428 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.L137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.32 A 0.15 C Shift Assignments>> CA :: 52.940 CB :: 40.997 CG :: 25.500 CD1 :: 22.709 CD2 :: 22.709 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.027 HA :: 4.584 HB2 :: 1.514 HB3 :: 1.586 HG :: 1.007 HD11 :: 1.007 HD12 :: 1.007 HD13 :: 1.007 HD21 :: 1.007 HD22 :: 1.007 HD23 :: 1.007 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.850 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.P138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 174.240 CA :: 63.080 CB :: 32.160 CG :: 27.359 CD :: 50.256 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.474 HB2 :: 2.245 HB3 :: 1.870 HG2 :: 2.004 HG3 :: 2.004 HD2 :: 4.014 HD3 :: 3.601 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.V139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 176.485 CA :: 62.030 CB :: 32.980 CG1 :: 20.450 CG2 :: 20.450 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.220 HA :: 4.254 HB :: 2.130 HG11 :: 0.980 HG12 :: 0.980 HG13 :: 0.980 HG21 :: 0.980 HG22 :: 0.980 HG23 :: 0.980 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.738 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.T140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.937 CA :: 61.870 CB :: 69.880 CG2 :: 21.399 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.368 HA :: 4.323 HB :: 4.180 HG21 :: 1.180 HG22 :: 1.180 HG23 :: 1.180 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.865 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.N141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.24 C 0.13 C Shift Assignments>> CA :: 51.240 CB :: 39.042 CG :: 177.090 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.413 HA :: 5.003 HB2 :: 2.743 HB3 :: 2.870 HD21 :: 7.741 HD22 :: 7.017 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.435 ND2 :: 112.625 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.P142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 176.588 CA :: 63.760 CB :: 32.147 CG :: 27.296 CD :: 50.761 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.391 HB2 :: 2.007 HB3 :: 2.246 HG2 :: 2.005 HG3 :: 2.005 HD2 :: 3.796 HD3 :: 3.796 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.D143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.18 K 0.11 C 0.11 N 0.1 F 0.09 Y 0.07 R 0.02 C Shift Assignments>> C :: 175.868 CA :: 54.440 CB :: 41.002 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.314 HA :: 4.624 HB2 :: 2.611 HB3 :: 2.741 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.660 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.V144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 174.328 CA :: 60.061 CB :: 32.508 CG1 :: 20.430 CG2 :: 21.310 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.660 HA :: 4.390 HB :: 2.098 HG11 :: 0.908 HG12 :: 0.908 HG13 :: 0.908 HG21 :: 0.939 HG22 :: 0.939 HG23 :: 0.939 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.028 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.P145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 176.558 CA :: 63.600 CB :: 31.966 CG :: 27.158 CD :: 51.037 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.389 HB2 :: 1.835 HB3 :: 2.259 HG2 :: 2.000 HG3 :: 2.000 HD2 :: 3.676 HD3 :: 3.797 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.H146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 E 0.13 W 0.13 Q 0.12 C 0.12 K 0.08 M 0.07 I 0.01 C Shift Assignments>> C :: 175.431 CA :: 56.275 CB :: 30.309 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.369 HA :: 4.584 HB2 :: 3.161 HB3 :: 3.161 HD2 :: 7.081 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.248 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.A147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.26 C 0.02 C Shift Assignments>> C :: 178.520 CA :: 53.130 CB :: 19.124 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.331 HA :: 4.258 HB1 :: 1.406 HB2 :: 1.406 HB3 :: 1.406 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.702 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.G148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 HN Overlap>> 1.G123 1.G123 C Shift Assignments>> C :: 175.232 CA :: 45.202 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.494 HA2 :: 3.293 HA3 :: 3.964 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.130 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.R149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 H 0.14 E 0.13 W 0.13 C 0.12 Q 0.12 M 0.07 K 0.07 I 0.01 V 0.01 C Shift Assignments>> C :: 176.855 CA :: 56.630 CB :: 30.389 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.315 HA :: 4.381 HB2 :: 1.999 HB3 :: 2.228 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.068 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) FLAG polypeptide(L) 1.R150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 K 0.1 G 0.07 L 0.01 C Shift Assignments>> C :: 176.449 CA :: 57.223 CB :: 30.290 CG :: 27.287 CD :: 43.364 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.319 HA :: 4.222 HB2 :: 1.864 HB3 :: 1.864 HG2 :: 1.677 HG3 :: 1.677 HD2 :: 3.209 HD3 :: 3.209 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.907 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) FLAG polypeptide(L) 1.A151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.26 C 0.02 C Shift Assignments>> C :: 178.037 CA :: 53.222 CB :: 19.272 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.122 HA :: 4.259 HB1 :: 1.406 HB2 :: 1.406 HB3 :: 1.406 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.326 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.28 R 0.07 G 0.01 A 0.01 HN Overlap>> 1.I23 1.E122 1.I23 1.E122 C Shift Assignments>> C :: 177.376 CA :: 55.490 CB :: 42.290 CG :: 26.774 CD1 :: 25.222 CD2 :: 23.603 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.918 HA :: 4.277 HB2 :: 1.527 HB3 :: 1.662 HG :: 1.516 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 HD21 :: 0.844 HD22 :: 0.844 HD23 :: 0.844 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.802 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.L153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.27 R 0.11 G 0.01 C Shift Assignments>> C :: 176.983 CA :: 55.513 CB :: 42.290 CG :: 26.774 CD1 :: 26.246 CD2 :: 24.325 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.917 HA :: 4.231 HB2 :: 1.310 HB3 :: 1.530 HG :: 0.816 HD11 :: 0.817 HD12 :: 0.817 HD13 :: 0.817 HD21 :: 0.817 HD22 :: 0.817 HD23 :: 0.817 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.483 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.F154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.35 C 0.27 C Shift Assignments>> C :: 176.353 CA :: 57.759 CB :: 39.525 CD1 :: 131.980 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.937 HA :: 4.610 HB2 :: 3.016 HB3 :: 3.249 HD1 :: 7.211 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.162 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.G155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 174.073 CA :: 45.806 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.245 HA2 :: 3.967 HA3 :: 4.800 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.155 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.R156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.1 G 0.07 C Shift Assignments>> C :: 176.414 CA :: 55.953 CB :: 30.790 CG :: 27.074 CD :: 43.408 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.134 HA :: 4.401 HB2 :: 1.775 HB3 :: 1.890 HG2 :: 1.650 HG3 :: 1.650 HD2 :: 3.212 HD3 :: 3.212 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.508 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) FLAG polypeptide(L) 1.R157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.11 G 0.07 C Shift Assignments>> C :: 176.382 CA :: 56.010 CB :: 30.869 CG :: 27.000 CD :: 43.330 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.514 HA :: 4.412 HB2 :: 1.803 HB3 :: 1.917 HG2 :: 1.672 HG3 :: 1.672 HD2 :: 3.200 HD3 :: 3.200 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.600 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) FLAG polypeptide(L) 1.S158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F20 1.F20 C Shift Assignments>> C :: 175.139 CA :: 58.774 CB :: 63.863 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.446 HA :: 4.450 HB2 :: 3.889 HB3 :: 3.889 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.229 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.G159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 174.235 CA :: 45.402 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.519 HA2 :: 3.970 HA3 :: 4.800 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.180 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.E160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.1 K 0.07 I 0.05 Q 0.04 C Shift Assignments>> C :: 176.334 CA :: 56.772 CB :: 30.275 CG :: 36.311 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.256 HA :: 4.324 HB2 :: 1.956 HB3 :: 2.096 HG2 :: 2.278 HG3 :: 2.278 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.327 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.N161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.35 C 0.18 C Shift Assignments>> C :: 173.831 CA :: 53.235 CB :: 39.173 CG :: 177.484 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.490 HA :: 4.744 HB2 :: 2.763 HB3 :: 2.885 HD21 :: 7.630 HD22 :: 6.930 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.662 ND2 :: 113.300 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.A162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.32 C 0.05 L 0.05 V 0.01 HN Overlap>> 1.L87 1.L87 C Shift Assignments>> C :: 182.582 CA :: 53.920 CB :: 20.247 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.865 HA :: 4.136 HB1 :: 1.347 HB2 :: 1.347 HB3 :: 1.347 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.565 Ave N Shift Values>> N :: 123.23(3.7) ########################################################################### Overall Results: #Consistent: 152 #Clerical: 0 #Suspicious: 9 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 159 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 162 #Suspicious: 0 C Shift Results: #Consistent: 661 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent:1055 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 0 N Shift Results: #Consistent: 159 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S11 HA = 2.120(S), Expected = 4.51, Std = 0.4300, ChiSquare = 2.7267e-08 1.P12 HB2 = 0.369(S), Expected = 2.05, Std = 0.3900, ChiSquare = 1.6307e-05 1.V16 HG11 = -0.105(S), Expected = 0.84, Std = 0.2700, ChiSquare = 4.6526e-04 1.V16 HG12 = -0.105(S), Expected = 0.84, Std = 0.2700, ChiSquare = 4.6526e-04 1.V16 HG13 = -0.105(S), Expected = 0.84, Std = 0.2700, ChiSquare = 4.6526e-04 1.H35 Typing: Mistyped 1.H35 CB = 41.155(A), Expected = 29.95, Std = 2.1500, ChiSquare = 1.8719e-07 1.L47 HD21 = -0.413(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.7983e-05 1.L47 HD22 = -0.413(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.7983e-05 1.L47 HD23 = -0.413(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.7983e-05 1.E49 HG2 = 1.279(S), Expected = 2.31, Std = 0.2100, ChiSquare = 9.1298e-07 1.E49 HG3 = 1.442(S), Expected = 2.31, Std = 0.2100, ChiSquare = 3.5754e-05 1.V65 HA = 6.105(S), Expected = 4.16, Std = 0.5700, ChiSquare = 6.4422e-04 1.S107 HA = 6.018(S), Expected = 4.51, Std = 0.4300, ChiSquare = 4.5323e-04 1.C108 HB2 = 1.167(S), Expected = 2.95, Std = 0.4300, ChiSquare = 3.3758e-05 1.Q124 HG3 = 1.151(S), Expected = 2.32, Std = 0.2900, ChiSquare = 5.5532e-05