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.V2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 3.775 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) FLAG polypeptide(L) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.41 M 0.27 V 0.12 I 0.11 T 0.06 C Shift Assignments>> C :: 177.252 CB :: 19.290 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.398 HA :: 4.222 HB1 :: 1.296 HB2 :: 1.296 HB3 :: 1.296 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.539 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.15 C Shift Assignments>> C :: 177.154 CA :: 51.823 CB :: 19.290 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.337 HA :: 4.147 HB1 :: 1.259 HB2 :: 1.259 HB3 :: 1.259 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.721 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.21 L 0.16 F 0.09 Y 0.08 K 0.06 R 0.01 C Shift Assignments>> C :: 176.386 CA :: 53.700 CB :: 40.562 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 :: 8.234 HA :: 4.488 HB2 :: 2.597 HB3 :: 2.493 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 :: 119.224 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.908 CA :: 61.833 CB :: 38.059 CG1 :: 26.765 CG2 :: 17.360 CD1 :: 12.866 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 :: 7.994 HA :: 4.014 HB :: 1.841 HG12 :: 1.342 HG13 :: 1.103 HG21 :: 0.804 HG22 :: 0.804 HG23 :: 0.804 HD11 :: 0.760 HD12 :: 0.760 HD13 :: 0.760 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 :: 121.312 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.15 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 173.723 CA :: 44.941 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.436 HA2 :: 3.810 HA3 :: 3.810 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.837 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.2 C Shift Assignments>> C :: 178.022 CA :: 52.448 CB :: 19.290 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.950 HA :: 4.211 HB1 :: 1.296 HB2 :: 1.296 HB3 :: 1.296 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.239 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 174.259 CA :: 45.581 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.346 HA2 :: 4.021 HA3 :: 3.772 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.368 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 A 0.1 C Shift Assignments>> C :: 178.202 CA :: 57.915 CB :: 40.686 CG :: 24.381 CD1 :: 24.912 CD2 :: 21.653 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 :: 7.224 HA :: 3.736 HB2 :: 1.368 HB3 :: 0.994 HG :: 1.278 HD11 :: 0.664 HD12 :: 0.664 HD13 :: 0.664 HD21 :: 0.183 HD22 :: 0.183 HD23 :: 0.183 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 :: 117.616 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.34 I 0.03 C Shift Assignments>> C :: 181.090 CA :: 54.860 CB :: 17.248 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.860 HA :: 3.937 HB1 :: 1.376 HB2 :: 1.376 HB3 :: 1.376 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.757 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.25 D 0.16 N 0.1 L 0.08 I 0.05 E 0.02 K 0.01 C Shift Assignments>> C :: 177.941 CA :: 56.341 CB :: 39.312 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 :: 8.017 HA :: 4.223 HB2 :: 2.250 HB3 :: 2.556 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 :: 118.410 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.36 I 0.04 C Shift Assignments>> C :: 178.856 CA :: 55.039 CB :: 17.779 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.205 HA :: 3.952 HB1 :: 1.423 HB2 :: 1.423 HB3 :: 1.423 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.480 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 K 0.16 A 0.02 G 0.02 C Shift Assignments>> C :: 177.544 CA :: 55.511 CB :: 42.176 CG :: 25.954 CD1 :: 23.277 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 :: 7.217 HA :: 4.258 HB2 :: 1.947 HB3 :: 1.295 HG :: 0.844 HD11 :: 0.651 HD12 :: 0.651 HD13 :: 0.651 HD21 :: 0.651 HD22 :: 0.651 HD23 :: 0.651 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 :: 113.410 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.959 CA :: 61.733 CB :: 71.514 CG2 :: 20.901 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 :: 7.624 HA :: 4.394 HB :: 4.145 HG21 :: 1.146 HG22 :: 1.146 HG23 :: 1.146 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 :: 106.072 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 C Shift Assignments>> C :: 175.978 CA :: 50.681 CB :: 18.728 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.932 HA :: 4.624 HB1 :: 1.338 HB2 :: 1.338 HB3 :: 1.338 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.789 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 61.497 CB :: 31.775 CG :: 26.493 CD :: 50.074 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 :: 4.430 HB2 :: 2.190 HB3 :: 1.851 HG2 :: 1.920 HG3 :: 1.830 HD2 :: 3.746 HD3 :: 3.551 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.L18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 R 0.05 HN Overlap>> 1.E131 1.E131 C Shift Assignments>> C :: 176.447 CA :: 55.510 CB :: 40.921 CG :: 26.674 CD1 :: 16.249(S) CD2 :: 24.066 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 :: 8.154 HA :: 3.894 HB2 :: 1.470 HB3 :: 1.223 HG :: 1.371 HD11 :: 0.635 HD12 :: 0.635 HD13 :: 0.635 HD21 :: 0.721 HD22 :: 0.721 HD23 :: 0.721 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 :: 121.010 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.24 R 0.16 K 0.08 G 0.06 N 0.04 F 0.03 Y 0.02 C Shift Assignments>> C :: 176.425 CA :: 52.688 CB :: 42.819 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 :: 8.758 HA :: 4.626 HB2 :: 2.242 HB3 :: 2.767 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 :: 124.654 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.H20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.18 K 0.18 Q 0.17 H 0.16 R 0.14 I 0.08 M 0.03 L 0.01 V 0.01 C Shift Assignments>> CA :: 58.100 CB :: 29.200 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 :: 4.272 HB2 :: 3.081 HB3 :: 3.081 HD2 :: 6.920 HE1 :: 7.710 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.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.08 L 0.02 A 0.01 C Shift Assignments>> C :: 177.393 CA :: 56.320 CB :: 30.950 CG :: 23.667 CE :: 40.898 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 :: 8.348 HA :: 3.970 HB2 :: 1.577 HB3 :: 1.577 HG2 :: 1.075 HG3 :: 0.971 HD2 :: 1.515 HD3 :: 1.515 HE2 :: 2.845 HE3 :: 2.845 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 :: 118.419 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.24 L 0.13 F 0.11 Y 0.11 K 0.04 C Shift Assignments>> C :: 176.212 CA :: 54.164 CB :: 40.091 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 :: 7.451 HA :: 4.307 HB2 :: 2.556 HB3 :: 2.438 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 :: 120.045 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 M 0.35 K 0.08 G 0.02 HN Overlap>> 1.I125 1.I125 C Shift Assignments>> C :: 177.409 CA :: 56.254 CB :: 31.950 CG :: 24.804 CD :: 33.122 CE :: 42.070 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 :: 8.416 HA :: 3.962 HB2 :: 1.638 HB3 :: 1.638 HG2 :: 1.417 HG3 :: 1.276 HD2 :: 1.559 HD3 :: 1.559 HE2 :: 2.543 HE3 :: 2.543 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 :: 121.925 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.18 R 0.11 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.788 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.612 HA2 :: 3.655 HA3 :: 3.519 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.487 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 G 0.36 R 0.18 A 0.03 C Shift Assignments>> CA :: 55.906 CB :: 44.428 CG :: 27.329 CD1 :: 26.907 CD2 :: 22.715 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 :: 8.054 HA :: 3.770 HB2 :: 1.230 HB3 :: 0.760 HG :: 1.543 HD11 :: 0.389 HD12 :: 0.389 HD13 :: 0.389 HD21 :: 0.708 HD22 :: 0.708 HD23 :: 0.708 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 :: 127.196 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.3 E 0.21 R 0.07 I 0.06 M 0.01 C Shift Assignments>> C :: 174.347 CA :: 57.926 CB :: 27.721 CG :: 34.588 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 :: 9.184 HA :: 3.437 HB2 :: 2.023 HB3 :: 1.948 HG2 :: 2.186 HG3 :: 2.053 HE21 :: 7.568 HE22 :: 6.571 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 :: 131.782 NE2 :: 112.483 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 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 :: 171.111 CA :: 56.782 CB :: 64.611 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.240 HA :: 4.981 HB2 :: 3.638 HB3 :: 3.438 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 :: 108.936 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.24 C Shift Assignments>> C :: 174.697 CA :: 53.332 CB :: 45.636 CG :: 26.440 CD1 :: 26.172 CD2 :: 26.220 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 :: 8.010 HA :: 4.372 HB2 :: 1.147 HB3 :: 1.147 HG :: 1.236 HD11 :: 0.370 HD12 :: 0.370 HD13 :: 0.370 HD21 :: 0.460 HD22 :: 0.460 HD23 :: 0.460 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 :: 121.826 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.792 CA :: 62.565 CB :: 68.233 CG2 :: 21.978 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 :: 8.810 HA :: 4.046 HB :: 3.852 HG21 :: 0.926 HG22 :: 0.926 HG23 :: 0.926 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 :: 123.892 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 A 0.45 C Shift Assignments>> C :: 174.707 CA :: 53.789 CB :: 40.562 CG :: 24.998 CD1 :: 22.124 CD2 :: 25.547 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 :: 8.662 HA :: 4.150 HB2 :: 1.870 HB3 :: 0.812 HG :: 1.469 HD11 :: 0.471 HD12 :: 0.471 HD13 :: 0.471 HD21 :: 0.103 HD22 :: 0.103 HD23 :: 0.103 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 :: 128.365 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.25 D 0.14 K 0.1 F 0.05 G 0.04 Y 0.03 N 0.01 HN Overlap>> 1.A200 1.A200 C Shift Assignments>> CA :: 54.657 CB :: 43.089 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 :: 8.500 HA :: 4.837 HB2 :: 2.703 HB3 :: 2.440 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 :: 123.194 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.Q32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.35 K 0.34 R 0.13 E 0.1 M 0.04 C Shift Assignments>> C :: 178.535 CA :: 56.284 CB :: 28.175 CG :: 33.651 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 :: 10.453(S) HA :: 3.808 HB2 :: 1.892 HB3 :: 1.421 HG2 :: 2.366 HG3 :: 2.270 HE21 :: 7.505 HE22 :: 6.725 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 :: 120.692 NE2 :: 113.763 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.792 CA :: 61.436 CB :: 63.008 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.523 HA :: 4.081 HB2 :: 3.785 HB3 :: 3.556 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 :: 111.712 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 172.251 CA :: 60.415 CB :: 32.306 CG1 :: 21.254 CG2 :: 18.910 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 :: 6.691 HA :: 3.890 HB :: 1.766 HG11 :: 0.773 HG12 :: 0.773 HG13 :: 0.773 HG21 :: 0.586 HG22 :: 0.586 HG23 :: 0.586 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 :: 115.971 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 K 0.3 G 0.02 L 0.01 C Shift Assignments>> C :: 176.886 CA :: 55.599 CB :: 30.569 CG :: 27.090 CD :: 42.438 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 :: 8.184 HA :: 4.176 HB2 :: 2.152 HB3 :: 1.673 HG2 :: 1.298 HG3 :: 1.499 HD2 :: 2.985 HD3 :: 2.985 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 :: 125.397 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.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.34 M 0.02 C Shift Assignments>> C :: 176.596 CA :: 58.687 CB :: 31.959 CG :: 24.660 CD :: 28.580 CE :: 41.768 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 :: 8.493 HA :: 3.778 HB2 :: 1.636 HB3 :: 1.475 HG2 :: 1.432 HG3 :: 1.432 HD2 :: 1.521 HD3 :: 1.521 HE2 :: 2.843 HE3 :: 2.843 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 :: 119.360 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 E 0.24 Y 0.19 F 0.1 M 0.08 D 0.04 K 0.03 I 0.02 HN Overlap>> 1.I76 1.I76 C Shift Assignments>> C :: 173.867 CA :: 55.127 CB :: 37.071 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 :: 8.513 HA :: 4.438 HB2 :: 3.117 HB3 :: 2.819 HD21 :: 7.521 HD22 :: 6.878 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 :: 115.488 ND2 :: 113.149 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.28 K 0.21 H 0.14 R 0.14 Q 0.1 E 0.07 V 0.01 C Shift Assignments>> C :: 175.262 CA :: 54.808 CB :: 32.321 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 :: 7.793 HA :: 4.772 HB2 :: 2.187 HB3 :: 1.779 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 :: 118.734 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.12 G 0.07 A 0.04 M 0.01 C Shift Assignments>> C :: 174.312 CA :: 52.782 CB :: 35.174 CG :: 24.049 CD :: 28.251 CE :: 42.323 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 :: 8.706 HA :: 4.606 HB2 :: 1.429 HB3 :: 1.429 HG2 :: 1.241 HG3 :: 1.195 HD2 :: 1.520 HD3 :: 1.520 HE2 :: 2.817 HE3 :: 2.817 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 :: 117.132 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.26 HN Overlap>> 1.T133 1.T133 C Shift Assignments>> C :: 173.778 CA :: 52.590 CB :: 44.855 CG :: 25.260 CD1 :: 24.727 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 :: 9.085 HA :: 5.044 HB2 :: 1.743 HB3 :: 1.028 HG :: 1.193 HD11 :: 0.089 HD12 :: 0.089 HD13 :: 0.089 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 :: 125.335 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 K 0.23 M 0.03 HN Overlap>> 1.N209 1.N209 C Shift Assignments>> C :: 175.616 CA :: 53.864 CB :: 32.986 CG :: 28.085 CD :: 30.429 CE :: 41.140 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 :: 9.263 HA :: 5.049 HB2 :: 1.724 HB3 :: 1.521 HG2 :: 1.533 HG3 :: 1.533 HD2 :: 1.593 HD3 :: 1.593 HE2 :: 2.626 HE3 :: 2.626 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 :: 129.833 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.L42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.47 L 0.46 A 0.05 C Shift Assignments>> C :: 175.565 CA :: 51.964 CB :: 44.393 CG :: 26.559 CD1 :: 24.178 CD2 :: 23.115 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 :: 8.954 HA :: 5.458 HB2 :: 0.889 HB3 :: 0.845 HG :: 0.673 HD11 :: -0.317(S) HD12 :: -0.317(S) HD13 :: -0.317(S) HD21 :: 0.100 HD22 :: 0.100 HD23 :: 0.100 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 :: 126.292 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 A 0.15 K 0.1 M 0.09 P 0.03 R 0.01 C Shift Assignments>> C :: 176.301 CA :: 51.004 CB :: 23.453 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.804 HA :: 5.304 HB1 :: 1.361 HB2 :: 1.361 HB3 :: 1.361 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.789 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 K 0.19 M 0.08 A 0.04 R 0.03 C Shift Assignments>> C :: 176.254 CA :: 53.021 CB :: 23.682 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.117 HA :: 4.485 HB1 :: 1.389 HB2 :: 1.389 HB3 :: 1.389 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.678 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.Q45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.31 R 0.13 E 0.11 M 0.02 I 0.01 C Shift Assignments>> C :: 175.259 CA :: 56.074 CB :: 27.339 CG :: 34.041 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 :: 9.035 HA :: 3.774 HB2 :: 2.255 HB3 :: 1.890 HG2 :: 2.352 HG3 :: 2.310 HE21 :: 7.530 HE22 :: 6.823 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 :: 116.299 NE2 :: 112.018 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.14 R 0.07 F 0.01 C Shift Assignments>> C :: 173.050 CA :: 44.998 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.441 HA2 :: 4.066 HA3 :: 3.510 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.419 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 L 0.35 M 0.1 K 0.02 G 0.01 P 0.01 C Shift Assignments>> C :: 175.989 CA :: 49.918 CB :: 22.720 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.152 HA :: 4.767 HB1 :: 1.411 HB2 :: 1.411 HB3 :: 1.411 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.355 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.E48 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.79 Q 0.17 K 0.01 E 0.01 C Shift Assignments>> C :: 174.224 CA :: 54.346 CB :: 34.305 CG :: 32.941 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 :: 8.156 HA :: 5.488 HB2 :: 1.909 HB3 :: 1.745 HG2 :: 2.029 HG3 :: 2.029 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 :: 116.655 Ave N Shift Values>> N :: 120.68(3.68) SRO Rule Breaks>> (CG > CB : 0.9917) FLAG polypeptide(L) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.9 M 0.08 C Shift Assignments>> C :: 172.887 CA :: 56.414 CB :: 34.723 CG :: 23.920 CD :: 29.161 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 :: 8.852 HA :: 4.190 HB2 :: 1.917 HB3 :: 1.732 HG2 :: 1.191 HG3 :: 1.191 HD2 :: 1.420 HD3 :: 1.420 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 :: 122.922 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.L245 1.L245 C Shift Assignments>> C :: 173.112 CA :: 61.998 CB :: 68.596 CG2 :: 21.940 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 :: 7.910 HA :: 4.908 HB :: 3.692 HG21 :: 0.943 HG22 :: 0.943 HG23 :: 0.943 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 :: 120.811 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.Y51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.19 F 0.16 R 0.14 Y 0.12 D 0.08 I 0.02 C Shift Assignments>> C :: 174.156 CA :: 57.375 CB :: 41.895 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 :: 9.432 HA :: 4.493 HB2 :: 2.753 HB3 :: 2.542 HD1 :: 6.798 HD2 :: 6.798 HE1 :: 6.458 HE2 :: 6.458 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 :: 127.372 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 K 0.2 R 0.16 D 0.11 F 0.08 Y 0.05 I 0.02 N 0.01 G 0.01 C Shift Assignments>> C :: 172.527 CA :: 42.304 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.154 HA2 :: 3.543 HA3 :: 3.543 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.920 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 D 0.12 L 0.09 I 0.07 N 0.04 K 0.03 E 0.01 C Shift Assignments>> C :: 176.319 CA :: 57.108 CB :: 39.672 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 :: 8.877 HA :: 4.034 HB2 :: 2.643 HB3 :: 2.185 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 :: 117.281 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.15 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 174.096 CA :: 44.931 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.949 HA2 :: 4.222 HA3 :: 3.348 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.860 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.25 K 0.17 R 0.08 F 0.07 Y 0.06 N 0.06 C Shift Assignments>> C :: 174.727 CA :: 54.408 CB :: 41.780 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 :: 7.991 HA :: 4.493 HB2 :: 3.150 HB3 :: 2.874 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 :: 121.974 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.099 CA :: 57.154 CB :: 64.522 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.485 HA :: 4.959 HB2 :: 3.609 HB3 :: 3.496 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 :: 113.088 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.L57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.39 G 0.34 A 0.25 HN Overlap>> 1.T149 1.T149 C Shift Assignments>> C :: 175.943 CA :: 53.070 CB :: 43.800 CG :: 25.932 CD1 :: 22.165 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 :: 9.004 HA :: 4.500 HB2 :: 1.580 HB3 :: 1.060 HG :: 0.398(S) HD11 :: 0.297 HD12 :: 0.297 HD13 :: 0.297 HD21 :: 0.297 HD22 :: 0.297 HD23 :: 0.297 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 :: 126.423 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.42 N 0.23 M 0.16 K 0.04 Q 0.04 E 0.03 Y 0.01 H 0.01 HN Overlap>> 1.D110 1.D110 C Shift Assignments>> C :: 173.916 CA :: 50.587 CB :: 35.153 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 :: 8.484 HA :: 4.752 HB2 :: 3.721 HB3 :: 2.601 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 :: 125.624 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.T59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 177.245 CA :: 63.213 CB :: 63.510(S) CG2 :: 23.475 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 :: 7.747 HA :: 4.770 HB :: 3.849 HG21 :: 0.746 HG22 :: 0.746 HG23 :: 0.746 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 :: 113.770 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.16 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 173.279 CA :: 44.892 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.869 HA2 :: 3.839 HA3 :: 3.724 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.430 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 K 0.32 G 0.02 C Shift Assignments>> C :: 176.315 CA :: 54.298 CB :: 32.200 CG :: 27.824 CD :: 28.380 CE :: 41.963 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 :: 6.376 HA :: 4.021 HB2 :: 1.446 HB3 :: 1.446 HG2 :: 1.352 HG3 :: 1.352 HD2 :: 1.532 HD3 :: 1.532 HE2 :: 2.625 HE3 :: 2.625 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 :: 112.620 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 K 0.18 L 0.06 C Shift Assignments>> C :: 176.306 CA :: 52.479 CB :: 40.600 CG :: 30.205 CD1 :: 22.368 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 :: 7.335 HA :: 4.275 HB2 :: 1.372 HB3 :: 1.372 HG :: 1.294 HD11 :: 0.722 HD12 :: 0.722 HD13 :: 0.722 HD21 :: 0.722 HD22 :: 0.722 HD23 :: 0.722 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 :: 116.704 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.33 M 0.03 G 0.01 C Shift Assignments>> C :: 175.886 CA :: 54.986 CB :: 32.447 CG :: 24.511 CD :: 28.249 CE :: 41.903 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 :: 8.506 HA :: 3.992 HB2 :: 1.472 HB3 :: 1.472 HG2 :: 1.287 HG3 :: 1.190 HD2 :: 1.476 HD3 :: 1.476 HE2 :: 2.873 HE3 :: 2.810 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 :: 119.841 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 Y 0.17 D 0.14 F 0.12 E 0.07 L 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 174.449 CA :: 54.417 CB :: 38.129 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 :: 8.080 HA :: 3.839 HB2 :: 2.414 HB3 :: 2.158 HD21 :: 7.456 HD22 :: 6.743 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 :: 121.515 ND2 :: 112.258 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 Y 0.18 D 0.18 F 0.14 E 0.04 L 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 173.016 CA :: 54.726 CB :: 38.534 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 :: 9.218 HA :: 3.690 HB2 :: 2.749 HB3 :: 2.859 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 :: 113.370 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 K 0.13 C Shift Assignments>> C :: 174.745 CA :: 53.094 CB :: 36.099 CG :: 23.366 CE :: 39.287 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 :: 6.443 HA :: 4.411 HB2 :: 1.503 HB3 :: 1.234 HG2 :: 1.115 HG3 :: 1.036 HE2 :: 2.789 HE3 :: 2.789 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 :: 113.415 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 M 0.04 I 0.02 C Shift Assignments>> C :: 176.630 CA :: 62.135 CB :: 32.001 CG1 :: 21.219 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 :: 8.679 HA :: 4.189 HB :: 1.711 HG11 :: 0.404 HG12 :: 0.404 HG13 :: 0.404 HG21 :: 0.404 HG22 :: 0.404 HG23 :: 0.404 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 :: 122.098 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.249 CA :: 58.323 CB :: 64.028 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.497 HA :: 4.507 HB2 :: 3.309 HB3 :: 3.309 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 :: 127.048 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.36 C Shift Assignments>> C :: 173.300 CA :: 55.337 CB :: 31.871 CG :: 28.823 CD :: 41.837 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 :: 7.848 HA :: 5.031 HB2 :: 1.639 HB3 :: 1.639 HG2 :: 1.321 HG3 :: 1.321 HD2 :: 2.817 HD3 :: 2.817 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 :: 122.621 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.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.3 G 0.1 D 0.08 K 0.05 F 0.04 Y 0.03 C Shift Assignments>> C :: 175.788 CA :: 55.245 CB :: 43.645 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 :: 9.246 HA :: 4.808 HB2 :: 2.937 HB3 :: 2.937 HD1 :: 7.089 HD2 :: 7.089 HE1 :: 6.938 HE2 :: 6.938 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 :: 118.087 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.22 K 0.18 F 0.11 Y 0.09 N 0.06 R 0.05 C Shift Assignments>> C :: 176.477 CA :: 55.131 CB :: 41.301 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 :: 9.144 HA :: 5.360 HB2 :: 2.807 HB3 :: 2.687 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 :: 123.565 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.F72 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.19 D 0.17 K 0.17 F 0.06 Y 0.05 N 0.02 G 0.01 C Shift Assignments>> C :: 174.014 CA :: 54.934 CB :: 42.491 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 :: 9.094 HA :: 6.431 HB2 :: 2.616 HB3 :: 2.961 HD1 :: 6.110 HD2 :: 6.110 HE1 :: 6.440 HE2 :: 6.440 HZ :: 6.420 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 :: 119.663 Ave N Shift Values>> N :: 120.69(4.18) SRO Rule Breaks>> (HD1 > HA : 0.9976) (HD2 > HA : 0.9977) (HZ > HA : 0.9931) FLAG polypeptide(L) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 G 0.02 C Shift Assignments>> C :: 173.961 CA :: 61.222 CB :: 41.918 CG1 :: 27.519 CG2 :: 17.993 CD1 :: 13.219 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 :: 8.623 HA :: 4.334 HB :: 1.588 HG12 :: 1.479 HG13 :: 0.924 HG21 :: 0.840 HG22 :: 0.840 HG23 :: 0.840 HD11 :: 0.702 HD12 :: 0.702 HD13 :: 0.702 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 :: 119.750 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.R74 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Suspicious H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.69 G 0.27 R 0.03 C Shift Assignments>> C :: 174.870 CA :: 54.449 CB :: 33.740 CG :: 32.980(S) CD :: 41.803 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 :: 9.052 HA :: 5.311 HB2 :: 1.705 HB3 :: 1.705 HG2 :: 1.545 HG3 :: 1.545 HD2 :: 1.130(A) HD3 :: 1.130(A) 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 :: 128.407 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD2 > HB2 : 0.9950) (HD3 > HB2 : 0.9950) (HD2 > HB3 : 0.9951) (HD3 > HB3 : 0.9958) (HD2 > HG2 : 0.9976) (HD3 > HG2 : 0.9974) (HD2 > HG3 : 0.9983) (HD3 > HG3 : 0.9982) FLAG polypeptide(L) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.83 Q 0.1 E 0.06 C Shift Assignments>> C :: 173.678 CA :: 53.745 CB :: 34.013 CG :: 34.094 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 :: 9.304 HA :: 5.562 HB2 :: 1.753 HB3 :: 1.753 HG2 :: 1.960 HG3 :: 1.960 HE21 :: 6.929 HE22 :: 6.546 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 :: 125.481 NE2 :: 109.896 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 G 0.05 HN Overlap>> 1.N37 1.N37 C Shift Assignments>> C :: 172.511 CA :: 59.622 CB :: 42.248 CG1 :: 26.697 CG2 :: 16.773 CD1 :: 13.520 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 :: 8.592 HA :: 4.576 HB :: 1.654 HG12 :: 1.346 HG13 :: 0.925 HG21 :: 0.816 HG22 :: 0.816 HG23 :: 0.816 HD11 :: 0.736 HD12 :: 0.736 HD13 :: 0.736 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 :: 115.536 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 M 0.24 K 0.12 Q 0.12 I 0.01 C Shift Assignments>> C :: 175.614 CA :: 54.812 CB :: 30.465 CG :: 35.831 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 :: 8.433 HA :: 4.936 HB2 :: 1.787 HB3 :: 1.580 HG2 :: 1.777 HG3 :: 1.722 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 :: 124.858 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 M 0.1 I 0.03 HN Overlap>> 1.K213 1.K213 C Shift Assignments>> C :: 175.694 CA :: 61.382 CB :: 34.014 CG1 :: 20.542 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 :: 8.879 HA :: 4.076 HB :: 1.761 HG11 :: 0.748 HG12 :: 0.748 HG13 :: 0.748 HG21 :: 0.748 HG22 :: 0.748 HG23 :: 0.748 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 :: 126.973 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 D 0.21 Y 0.21 F 0.17 L 0.06 E 0.03 I 0.02 C Shift Assignments>> C :: 175.774 CA :: 55.125 CB :: 38.926 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 :: 9.329 HA :: 4.156 HB2 :: 2.830 HB3 :: 2.462 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 :: 129.387 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.18 R 0.12 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.366 CA :: 44.759 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.575 HA2 :: 3.992 HA3 :: 3.507 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.293 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 Q 0.27 K 0.2 R 0.04 E 0.04 C Shift Assignments>> C :: 173.874 CA :: 53.328 CB :: 30.670 CG :: 32.852 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 :: 7.751 HA :: 4.482 HB2 :: 1.950 HB3 :: 1.833 HG2 :: 2.199 HG3 :: 2.147 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 :: 119.688 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 A 0.08 R 0.01 G 0.01 C Shift Assignments>> C :: 176.289 CA :: 53.834 CB :: 41.737 CG :: 26.685 CD1 :: 24.094 CD2 :: 22.958 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 :: 8.418 HA :: 4.630 HB2 :: 1.469 HB3 :: 1.116 HG :: 1.351 HD11 :: 0.648 HD12 :: 0.648 HD13 :: 0.648 HD21 :: 0.529 HD22 :: 0.529 HD23 :: 0.529 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 :: 123.523 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.K193 1.K193 C Shift Assignments>> C :: 175.698 CA :: 59.363 CB :: 39.633 CG1 :: 26.940 CG2 :: 16.823 CD1 :: 11.665 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 :: 9.146 HA :: 4.249 HB :: 1.761 HG12 :: 1.264 HG13 :: 1.118 HG21 :: 0.679 HG22 :: 0.679 HG23 :: 0.679 HD11 :: 0.631 HD12 :: 0.631 HD13 :: 0.631 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 :: 127.151 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.890 CA :: 62.641 CB :: 68.634 CG2 :: 21.650 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 :: 8.656 HA :: 4.203 HB :: 4.025 HG21 :: 1.033 HG22 :: 1.033 HG23 :: 1.033 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 :: 123.099 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 G 0.28 R 0.23 K 0.03 HN Overlap>> 1.T133 1.T133 C Shift Assignments>> C :: 177.371 CA :: 55.527 CB :: 44.315 CD1 :: 25.372 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 :: 8.967 HA :: 4.256 HB2 :: 1.460 HB3 :: 1.302 HD11 :: 0.675 HD12 :: 0.675 HD13 :: 0.675 HD21 :: 0.675 HD22 :: 0.675 HD23 :: 0.675 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 :: 125.333 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 E 0.32 Q 0.02 HN Overlap>> 1.D155 1.D155 C Shift Assignments>> C :: 172.723 CA :: 54.670 CB :: 33.717 CG :: 36.220 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 :: 7.503 HA :: 5.026 HB2 :: 2.119 HB3 :: 1.963 HG2 :: 2.410 HG3 :: 2.500 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 :: 116.655 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.S87 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 :: 172.763 CA :: 57.328 CB :: 65.493 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.954 HA :: 4.245 HB2 :: 3.893 HB3 :: 3.443 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 :: 117.941 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 171.117 CA :: 46.575 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.932 HA2 :: 3.694 HA3 :: 3.694 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.625 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 M 0.18 E 0.14 I 0.03 C Shift Assignments>> C :: 173.226 CA :: 54.786 CB :: 34.334 CG :: 39.230 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 :: 9.669 HA :: 5.642 HB2 :: 2.357 HB3 :: 2.298 HG2 :: 2.154 HG3 :: 2.154 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 :: 128.231 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.22 K 0.18 R 0.12 F 0.07 Y 0.05 N 0.04 C Shift Assignments>> C :: 173.039 CA :: 54.616 CB :: 42.090 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 :: 10.365 HA :: 5.048 HB2 :: 2.808 HB3 :: 2.643 HD1 :: 7.043 HD2 :: 7.043 HE1 :: 6.114 HE2 :: 6.114 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 :: 131.583 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 Q 0.32 R 0.14 M 0.12 E 0.03 P 0.01 C Shift Assignments>> C :: 174.151 CA :: 53.174 CB :: 28.812 CG :: 32.947 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 :: 8.685 HA :: 4.959 HB2 :: 1.974 HB3 :: 1.974 HG2 :: 1.521 HG3 :: 1.521 HE21 :: 6.443 HE22 :: 7.096 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 :: 126.465 NE2 :: 109.534 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 I 0.02 C Shift Assignments>> C :: 173.802 CA :: 59.715 CB :: 35.074 CG1 :: 21.541 CG2 :: 19.965 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 :: 8.675 HA :: 4.569 HB :: 1.571 HG11 :: 0.407 HG12 :: 0.407 HG13 :: 0.407 HG21 :: 0.467 HG22 :: 0.467 HG23 :: 0.467 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 :: 118.841 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.Y93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.19 K 0.16 L 0.16 D 0.14 I 0.03 R 0.03 N 0.02 HN Overlap>> 1.K235 1.K235 C Shift Assignments>> C :: 173.330 CA :: 56.948 CB :: 40.780 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 :: 8.896 HA :: 4.940 HB2 :: 2.785 HB3 :: 2.785 HD1 :: 6.438 HD2 :: 6.438 HE1 :: 6.321 HE2 :: 6.321 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 :: 127.563 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.K94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.34 M 0.19 K 0.11 Y 0.1 N 0.07 Q 0.06 F 0.04 I 0.02 H 0.01 C Shift Assignments>> CA :: 55.660 CB :: 35.870 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 :: 5.813(S) HA :: 4.248 HB2 :: 1.485 HB3 :: 1.485 HG2 :: 1.349 HG3 :: 1.349 HD2 :: 1.436 HD3 :: 1.436 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 :: 128.378 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.Q95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 K 0.26 Q 0.14 I 0.08 R 0.02 M 0.02 L 0.02 C Shift Assignments>> C :: 174.080 CA :: 54.043 CB :: 27.209 CG :: 36.220 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 :: 8.438 HA :: 5.028 HB2 :: 2.268 HB3 :: 2.268 HG2 :: 2.132 HG3 :: 2.132 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 :: 125.809 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.S96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Y216 1.Y216 C Shift Assignments>> CA :: 62.985 CB :: 63.242 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.057 HA :: 3.041(S) HB2 :: 3.676 HB3 :: 3.676 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 :: 117.650 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.H97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.25 R 0.19 Q 0.16 M 0.14 E 0.11 K 0.1 C Shift Assignments>> CA :: 53.809 CB :: 30.329 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 :: 10.115 HA :: 4.406 HB2 :: 2.230 HB3 :: 2.230 HD2 :: 6.517 HE1 :: 7.730 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 :: 118.385 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.S98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 56.712 CB :: 65.461 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.241 HA :: 4.406 HB2 :: 2.817(S) HB3 :: 2.817(S) 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 :: 112.298 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 L 0.33 M 0.15 K 0.02 HN Overlap>> 1.S114 1.S114 C Shift Assignments>> C :: 173.181 CA :: 51.363 CB :: 22.271 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.418 HA :: 4.753 HB1 :: 1.085 HB2 :: 1.085 HB3 :: 1.085 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.790 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 R 0.02 C Shift Assignments>> C :: 175.338 CA :: 53.753 CB :: 46.393 CG :: 28.049 CD1 :: 26.811 CD2 :: 27.424 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 :: 8.376 HA :: 5.549 HB2 :: 1.714 HB3 :: 1.714 HG :: 1.731 HD11 :: 0.997 HD12 :: 0.997 HD13 :: 0.997 HD21 :: 0.934 HD22 :: 0.934 HD23 :: 0.934 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 :: 115.214 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 A 0.11 C Shift Assignments>> C :: 172.493 CA :: 57.069 CB :: 71.308 CG2 :: 22.765 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 :: 8.685 HA :: 5.287 HB :: 3.387 HG21 :: 0.717 HG22 :: 0.717 HG23 :: 0.717 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 :: 109.441 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 A 0.16 K 0.1 M 0.09 P 0.03 R 0.01 HN Overlap>> 1.A229 1.S111 1.A229 1.S111 C Shift Assignments>> C :: 173.439 CA :: 51.015 CB :: 23.424 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.459 HA :: 4.366 HB1 :: 0.951 HB2 :: 0.951 HB3 :: 0.951 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.716 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.F103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.22 R 0.14 F 0.13 D 0.11 Y 0.1 I 0.01 N 0.01 C Shift Assignments>> C :: 174.173 CA :: 56.640 CB :: 41.926 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 :: 8.510 HA :: 4.715 HB2 :: 2.449 HB3 :: 2.449 HD1 :: 6.046 HD2 :: 6.046 HE1 :: 6.530 HE2 :: 6.530 HZ :: 7.440 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 :: 115.041 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.Q104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 K 0.27 Q 0.24 M 0.1 R 0.01 I 0.01 C Shift Assignments>> C :: 175.186 CA :: 53.213 CB :: 29.161 CG :: 35.450 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 :: 9.832 HA :: 5.226 HB2 :: 2.265 HB3 :: 2.265 HG2 :: 2.500 HG3 :: 2.500 HE21 :: 7.417 HE22 :: 7.155 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 :: 124.526 NE2 :: 116.046 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.538 CA :: 66.408 CB :: 69.385 CG2 :: 22.652 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 :: 9.566 HA :: 4.186 HB :: 4.039 HG21 :: 1.502 HG22 :: 1.502 HG23 :: 1.502 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 :: 126.760 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.E106 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 K 0.4 G 0.03 I 0.01 C Shift Assignments>> C :: 177.397 CA :: 56.227 CB :: 31.283 CG :: 42.610(S) 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 :: 9.303 HA :: 4.811 HB2 :: 2.120 HB3 :: 2.120 HG2 :: 2.438 HG3 :: 2.438 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 :: 121.685 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.Q107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 Q 0.18 E 0.05 K 0.02 C Shift Assignments>> C :: 173.999 CA :: 53.837 CB :: 32.543 CG :: 33.430 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 :: 7.954 HA :: 5.233 HB2 :: 2.033 HB3 :: 1.971 HG2 :: 2.187 HG3 :: 2.187 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 :: 117.612 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.I108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 G 0.2 A 0.05 C Shift Assignments>> C :: 174.089 CA :: 58.954 CB :: 42.799 CG1 :: 26.629 CG2 :: 19.103 CD1 :: 13.341 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 :: 8.969 HA :: 4.907 HB :: 1.845 HG12 :: 1.411 HG13 :: 1.411 HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 HD11 :: 0.759 HD12 :: 0.759 HD13 :: 0.759 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 :: 115.049 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.Q109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 Q 0.32 R 0.17 M 0.07 E 0.06 C Shift Assignments>> C :: 175.654 CA :: 56.086 CB :: 28.483 CG :: 33.053 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 :: 7.421 HA :: 4.405 HB2 :: 2.137 HB3 :: 1.969 HG2 :: 2.389 HG3 :: 2.227 HE21 :: 7.402 HE22 :: 6.407 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 :: 121.959 NE2 :: 110.381 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.2 N 0.14 K 0.11 F 0.07 Y 0.06 R 0.03 HN Overlap>> 1.N58 1.N58 1.F123 1.F123 C Shift Assignments>> C :: 176.662 CA :: 53.511 CB :: 41.187 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 :: 8.569 HA :: 4.377 HB2 :: 2.309 HB3 :: 3.022 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 :: 125.621 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.A229 1.A229 1.A102 1.A102 C Shift Assignments>> C :: 174.783 CA :: 60.782 CB :: 62.560 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.445 HA :: 4.024 HB2 :: 3.836 HB3 :: 3.836 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 :: 120.732 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 K 0.19 Q 0.17 M 0.13 I 0.03 C Shift Assignments>> C :: 175.899 CA :: 56.016 CB :: 29.853 CG :: 35.638 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 :: 8.246 HA :: 4.044 HB2 :: 1.650 HB3 :: 1.650 HG2 :: 2.038 HG3 :: 1.878 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 :: 119.367 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.H113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 Q 0.2 K 0.19 R 0.14 E 0.1 L 0.09 M 0.04 I 0.01 C Shift Assignments>> C :: 173.527 CA :: 54.515 CB :: 28.667 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 :: 7.418 HA :: 4.607 HB2 :: 2.975 HB3 :: 2.912 HD2 :: 7.150 HE1 :: 7.700 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 :: 117.287 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.A99 1.A99 C Shift Assignments>> C :: 175.690 CA :: 59.149 CB :: 62.820 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.398 HA :: 4.183 HB2 :: 3.777 HB3 :: 3.777 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 :: 116.771 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.19 R 0.13 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.540 CA :: 44.692 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.733 HA2 :: 4.052 HA3 :: 3.724 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.197 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.97 M 0.02 HN Overlap>> 1.K197 1.K197 C Shift Assignments>> C :: 175.090 CA :: 55.122 CB :: 33.861 CG :: 24.579 CD :: 27.696 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 :: 7.796 HA :: 4.465 HB2 :: 1.813 HB3 :: 1.763 HG2 :: 1.254 HG3 :: 1.199 HD2 :: 1.479 HD3 :: 1.308 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 :: 120.212 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.M117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.38 C Shift Assignments>> C :: 176.210 CA :: 52.928 CB :: 33.841 CG :: 30.582 CE :: 16.160 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 :: 8.348 HA :: 5.082 HB2 :: 1.760 HB3 :: 1.817 HG2 :: 2.449 HG3 :: 2.239 HE1 :: 1.473 HE2 :: 1.473 HE3 :: 1.473 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 :: 119.755 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 V 0.33 I 0.09 A 0.01 C Shift Assignments>> C :: 173.967 CA :: 59.056 CB :: 34.376 CG1 :: 19.452 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 :: 9.242 HA :: 4.469 HB :: 1.965 HG11 :: 0.776 HG12 :: 0.776 HG13 :: 0.776 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 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 :: 118.546 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.2 C Shift Assignments>> C :: 177.165 CA :: 52.043 CB :: 18.232 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.327 HA :: 4.624 HB1 :: 1.273 HB2 :: 1.273 HB3 :: 1.273 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.947 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.91 K 0.05 G 0.01 M 0.01 C Shift Assignments>> C :: 172.631 CA :: 56.023 CB :: 34.482 CG :: 28.890 CD :: 30.578 CE :: 41.740 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 :: 7.604 HA :: 4.046 HB2 :: 1.476 HB3 :: 1.476 HG2 :: 1.549 HG3 :: 1.549 HD2 :: 1.991 HD3 :: 1.991 HE2 :: 2.843 HE3 :: 2.843 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 :: 126.149 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.R121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 L 0.21 K 0.15 C Shift Assignments>> C :: 176.253 CA :: 55.564 CB :: 28.273 CG :: 27.906 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 :: 8.308 HA :: 4.901 HB2 :: 1.525 HB3 :: 1.525 HG2 :: 1.643 HG3 :: 1.643 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 :: 122.760 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.Q122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 Q 0.23 E 0.09 K 0.04 C Shift Assignments>> C :: 172.163 CA :: 54.218 CB :: 32.064 CG :: 33.680 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 :: 7.529 HA :: 4.541 HB2 :: 2.023 HB3 :: 1.874 HG2 :: 2.184 HG3 :: 2.184 HE21 :: 7.260 HE22 :: 6.808 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 :: 121.022 NE2 :: 110.547 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.F123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.22 R 0.16 D 0.13 F 0.1 Y 0.07 N 0.01 HN Overlap>> 1.D110 1.D110 C Shift Assignments>> C :: 174.530 CA :: 56.026 CB :: 42.143 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 :: 8.620 HA :: 6.040 HB2 :: 3.141 HB3 :: 2.992 HD1 :: 7.086 HD2 :: 7.086 HE1 :: 6.750 HE2 :: 6.750 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 :: 125.540 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.R124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 R 0.48 G 0.02 C Shift Assignments>> C :: 172.139 CA :: 53.422 CB :: 32.310 CG :: 27.040 CD :: 42.012 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 :: 8.018 HA :: 4.366 HB2 :: 1.451 HB3 :: 1.451 HG2 :: 1.501 HG3 :: 1.501 HD2 :: 2.762 HD3 :: 2.762 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 :: 125.264 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.I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 A 0.27 M 0.06 HN Overlap>> 1.K23 1.K23 C Shift Assignments>> C :: 175.487 CA :: 58.339 CB :: 35.673 CG1 :: 26.970 CG2 :: 17.460 CD1 :: 8.490 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 :: 8.462 HA :: 3.883 HB :: 1.842 HG12 :: 1.118 HG13 :: 1.118 HG21 :: 0.787 HG22 :: 0.787 HG23 :: 0.787 HD11 :: 0.380 HD12 :: 0.380 HD13 :: 0.380 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 :: 121.887 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.G126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 L 0.27 R 0.27 F 0.03 D 0.03 Y 0.02 K 0.01 HN Overlap>> 1.S217 1.S217 C Shift Assignments>> C :: 171.583 CA :: 44.157 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.814 HA2 :: 4.062 HA3 :: 4.062 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.675 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.D127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.18 R 0.05 D 0.01 C Shift Assignments>> C :: 174.132 CA :: 54.822 CB :: 45.407 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 :: 7.914 HA :: 4.584 HB2 :: 2.351 HB3 :: 2.109 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 :: 123.737 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.I128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E140 1.E140 C Shift Assignments>> C :: 174.799 CA :: 61.596 CB :: 37.549 CG1 :: 26.567 CG2 :: 17.680 CD1 :: 14.146 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 :: 8.258 HA :: 4.392 HB :: 1.829 HG12 :: 0.939 HG13 :: 0.939 HG21 :: 0.733 HG22 :: 0.733 HG23 :: 0.733 HD11 :: 0.777 HD12 :: 0.777 HD13 :: 0.777 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 :: 119.105 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.A129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 A 0.2 M 0.09 K 0.08 P 0.04 R 0.01 C Shift Assignments>> C :: 173.358 CA :: 50.608 CB :: 23.348 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.607 HA :: 4.757 HB1 :: 1.394 HB2 :: 1.394 HB3 :: 1.394 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.336 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.25 R 0.23 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.609 CA :: 44.315 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.514 HA2 :: 3.551 HA3 :: 4.422 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.232 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.E131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.34 E 0.11 R 0.07 M 0.04 P 0.01 HN Overlap>> 1.L18 1.L18 C Shift Assignments>> C :: 174.864 CA :: 53.120 CB :: 28.254 CG :: 34.286 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 :: 8.225 HA :: 4.540 HB2 :: 2.127 HB3 :: 2.043 HG2 :: 2.207 HG3 :: 2.207 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 :: 121.002 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.H132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.22 K 0.16 Q 0.16 H 0.11 L 0.1 E 0.1 I 0.1 M 0.01 C Shift Assignments>> C :: 175.411 CA :: 57.942 CB :: 27.710 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 :: 8.054 HA :: 4.771 HB2 :: 3.433 HB3 :: 3.433 HD2 :: 7.111 HE1 :: 8.150 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 :: 124.204 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.T133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.L40 1.L85 1.L40 1.L85 C Shift Assignments>> C :: 174.178 CA :: 63.225 CB :: 68.127 CG2 :: 22.099 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 :: 9.056 HA :: 3.864 HB :: 3.193 HG21 :: 1.038 HG22 :: 1.038 HG23 :: 1.038 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 :: 125.345 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.S134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.713 CA :: 57.961 CB :: 63.030 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.834 HA :: 4.560 HB2 :: 4.001 HB3 :: 3.643 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 :: 121.791 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.F135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 F 0.26 Y 0.23 C Shift Assignments>> C :: 175.375 CA :: 61.339 CB :: 39.394 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 :: 9.597 HA :: 3.953 HB2 :: 2.598 HB3 :: 2.514 HD1 :: 6.818 HD2 :: 6.818 HE1 :: 7.130 HE2 :: 7.130 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 :: 128.822 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.D136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 K 0.15 F 0.13 Y 0.11 N 0.07 R 0.03 I 0.01 HN Overlap>> 1.E182 1.E182 C Shift Assignments>> C :: 175.358 CA :: 55.223 CB :: 40.968 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 :: 8.017 HA :: 4.352 HB2 :: 2.832 HB3 :: 2.346 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 :: 113.108 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 R 0.29 M 0.11 G 0.04 C Shift Assignments>> C :: 175.571 CA :: 54.096 CB :: 32.545 CG :: 24.595 CD :: 30.224 CE :: 42.622 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 :: 7.340 HA :: 4.439 HB2 :: 2.069 HB3 :: 1.457 HG2 :: 1.276 HG3 :: 1.173 HD2 :: 1.827 HD3 :: 1.591 HE2 :: 2.828 HE3 :: 2.828 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 :: 117.716 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 A 0.32 R 0.01 C Shift Assignments>> C :: 174.123 CA :: 52.843 CB :: 40.993 CG :: 25.694 CD1 :: 26.268 CD2 :: 22.135 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 :: 6.698 HA :: 3.903 HB2 :: 1.117 HB3 :: 1.253 HG :: 1.822 HD11 :: 0.620 HD12 :: 0.620 HD13 :: 0.620 HD21 :: 0.720 HD22 :: 0.720 HD23 :: 0.720 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 :: 120.536 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.P139 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 172.700 CA :: 62.654 CB :: 30.086 CG :: 26.760 CD :: 49.582 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 :: 4.040 HB2 :: 1.896 HB3 :: 0.929 HG2 :: 0.668(S) HG3 :: 1.354 HD2 :: 3.177 HD3 :: 2.270(S) 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.E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 K 0.16 M 0.15 Q 0.13 I 0.04 HN Overlap>> 1.I128 1.I128 C Shift Assignments>> C :: 176.009 CA :: 56.119 CB :: 30.086 CG :: 35.858 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 :: 8.343 HA :: 3.970 HB2 :: 1.944 HB3 :: 1.743 HG2 :: 2.139 HG3 :: 2.096 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 :: 119.063 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.G141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.29 G 0.23 D 0.03 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 171.657 CA :: 43.929 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.241 HA2 :: 3.918 HA3 :: 3.814 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.270 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.G142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.3 G 0.14 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 171.767 CA :: 43.649 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.241 HA2 :: 3.710 HA3 :: 4.350 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.996 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.R143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 K 0.45 G 0.04 C Shift Assignments>> C :: 174.981 CA :: 54.235 CB :: 32.988 CG :: 26.809 CD :: 42.410 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 :: 8.214 HA :: 5.376 HB2 :: 1.546 HB3 :: 1.546 HG2 :: 1.409 HG3 :: 1.296 HD2 :: 2.987 HD3 :: 2.987 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 :: 117.762 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.A144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 A 0.17 K 0.09 M 0.09 P 0.04 R 0.01 C Shift Assignments>> C :: 175.012 CA :: 50.732 CB :: 23.448 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.030 HA :: 4.730 HB1 :: 1.218 HB2 :: 1.218 HB3 :: 1.218 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.630 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.T145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 171.870 CA :: 61.997 CB :: 69.746 CG2 :: 21.229 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 :: 8.560 HA :: 4.846 HB :: 3.763 HG21 :: 1.026 HG22 :: 1.026 HG23 :: 1.026 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 :: 117.942 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.Y146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 F 0.2 Y 0.2 L 0.14 N 0.1 K 0.06 I 0.02 C Shift Assignments>> C :: 174.627 CA :: 55.835 CB :: 40.094 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 :: 10.008 HA :: 4.580 HB2 :: 2.722 HB3 :: 2.395 HD1 :: 6.903 HD2 :: 6.903 HE1 :: 6.540 HE2 :: 6.540 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 :: 126.097 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.R147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.34 G 0.05 C Shift Assignments>> C :: 177.446 CA :: 54.024 CB :: 33.539 CG :: 27.910 CD :: 42.572 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 :: 8.860 HA :: 5.404 HB2 :: 1.899 HB3 :: 1.725 HG2 :: 1.629 HG3 :: 1.629 HD2 :: 3.135 HD3 :: 3.135 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 :: 121.042 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.G148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 173.831 CA :: 46.752 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.916 HA2 :: 4.816 HA3 :: 4.422 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.154 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.T149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.L57 1.L57 C Shift Assignments>> C :: 170.370 CA :: 62.316 CB :: 72.596 CG2 :: 21.092 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 :: 9.063 HA :: 4.711 HB :: 3.177 HG21 :: 0.858 HG22 :: 0.858 HG23 :: 0.858 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 :: 126.410 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.A150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.41 G 0.35 L 0.15 M 0.05 C Shift Assignments>> C :: 173.965 CA :: 48.843 CB :: 22.573 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.091 HA :: 5.289 HB1 :: 0.824 HB2 :: 0.824 HB3 :: 0.824 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.540 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.F151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.19 N 0.18 K 0.09 F 0.07 Y 0.06 R 0.02 C Shift Assignments>> C :: 171.891 CA :: 53.282 CB :: 41.020 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 :: 8.536 HA :: 5.442 HB2 :: 3.233 HB3 :: 2.484 HD1 :: 6.868 HD2 :: 6.868 HE1 :: 6.699 HE2 :: 6.699 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 :: 117.013 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.G152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.25 K 0.14 D 0.09 F 0.07 Y 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 173.148 CA :: 42.630 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.548 HA2 :: 4.003 HA3 :: 3.124 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.356 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.S153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.057 CA :: 58.787 CB :: 61.886 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.610 HA :: 3.421 HB2 :: 3.566 HB3 :: 3.566 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 :: 115.173 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.D154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 Y 0.22 N 0.2 F 0.19 L 0.08 I 0.02 E 0.02 C Shift Assignments>> C :: 175.191 CA :: 55.398 CB :: 39.212 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 :: 9.894 HA :: 4.168 HB2 :: 2.858 HB3 :: 2.696 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 :: 124.828 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.D155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.17 N 0.16 F 0.11 Y 0.1 K 0.08 R 0.01 HN Overlap>> 1.E86 1.E86 C Shift Assignments>> C :: 172.658 CA :: 54.342 CB :: 40.619 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 :: 7.520 HA :: 4.568 HB2 :: 2.494 HB3 :: 2.291 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 :: 116.749 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.A156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 177.708 CA :: 49.878 CB :: 17.473 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.544 HA :: 4.916 HB1 :: 1.255 HB2 :: 1.255 HB3 :: 1.255 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.246 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.G157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 R 0.06 F 0.01 C Shift Assignments>> C :: 174.344 CA :: 45.049 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.406 HA2 :: 4.286 HA3 :: 3.894 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.545 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.G158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 R 0.04 C Shift Assignments>> C :: 173.903 CA :: 45.225 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.128 HA2 :: 4.118 HA3 :: 3.641 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.404 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.K159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 M 0.09 A 0.06 C Shift Assignments>> C :: 174.390 CA :: 53.501 CB :: 34.622 CG :: 23.716 CD :: 29.100 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 :: 9.647 HA :: 5.052 HB2 :: 1.689 HB3 :: 1.689 HG2 :: 1.452 HG3 :: 1.290 HD2 :: 1.560 HD3 :: 1.560 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 :: 123.930 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.L160 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.48 G 0.47 A 0.02 R 0.01 C Shift Assignments>> C :: 174.825 CA :: 52.677 CB :: 44.629 CG :: 26.831 CD1 :: 25.253 CD2 :: 23.819 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 :: 7.706 HA :: 4.873 HB2 :: 1.060 HB3 :: 1.060 HG :: 0.328(S) HD11 :: 0.721 HD12 :: 0.721 HD13 :: 0.721 HD21 :: 0.602 HD22 :: 0.602 HD23 :: 0.602 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 :: 126.271 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.102 CA :: 61.761 CB :: 70.169 CG2 :: 20.318 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 :: 8.374 HA :: 4.949 HB :: 3.777 HG21 :: 1.060 HG22 :: 1.060 HG23 :: 1.060 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 :: 122.977 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.Y162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 L 0.21 G 0.14 F 0.09 Y 0.06 K 0.05 D 0.02 I 0.01 C Shift Assignments>> C :: 172.249 CA :: 58.162 CB :: 43.746 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 :: 9.174 HA :: 4.766 HB2 :: 2.409 HB3 :: 2.215 HD1 :: 6.568 HD2 :: 6.568 HE1 :: 7.265 HE2 :: 7.265 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 :: 128.112 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.T163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.520 CA :: 60.804 CB :: 70.818 CG2 :: 20.364 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 :: 8.711 HA :: 5.402 HB :: 3.588 HG21 :: 0.891 HG22 :: 0.891 HG23 :: 0.891 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 :: 124.549 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.I164 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.F166 1.F166 C Shift Assignments>> C :: 173.105 CA :: 60.595 CB :: 41.274 CG1 :: 27.113 CG2 :: 16.191 CD1 :: 11.821 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 :: 8.927 HA :: 4.313 HB :: 1.214 HG12 :: 0.618 HG13 :: 0.618 HG21 :: -0.330(S) HG22 :: -0.330(S) HG23 :: -0.330(S) HD11 :: 0.554 HD12 :: 0.554 HD13 :: 0.554 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 :: 123.685 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.D165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.21 N 0.17 K 0.08 R 0.04 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 177.213 CA :: 51.669 CB :: 41.730 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 :: 8.372 HA :: 4.750 HB2 :: 2.796 HB3 :: 2.308 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 :: 125.168 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.F166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 Y 0.19 F 0.14 E 0.07 V 0.02 HN Overlap>> 1.I164 1.I164 C Shift Assignments>> C :: 176.940 CA :: 61.543 CB :: 37.424 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 :: 8.968 HA :: 3.879 HB2 :: 2.990 HB3 :: 2.375 HD1 :: 6.951 HD2 :: 6.951 HE1 :: 7.066 HE2 :: 7.066 HZ :: 7.320 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 :: 123.597 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.A167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.44 I 0.02 HN Overlap>> 1.A189 1.A189 C Shift Assignments>> C :: 178.888 CA :: 54.458 CB :: 17.591 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.266 HA :: 4.322 HB1 :: 1.528 HB2 :: 1.528 HB3 :: 1.528 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.113 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.A168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.14 C Shift Assignments>> C :: 176.605 CA :: 51.225 CB :: 18.307 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.405 HA :: 4.096 HB1 :: 1.143 HB2 :: 1.143 HB3 :: 1.143 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.760 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.K169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.94 M 0.04 C Shift Assignments>> C :: 174.608 CA :: 57.049 CB :: 30.051 CG :: 25.778 CD :: 29.461 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 :: 7.906 HA :: 3.391 HB2 :: 2.204 HB3 :: 1.898 HG2 :: 1.504 HG3 :: 1.504 HD2 :: 1.607 HD3 :: 1.607 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 :: 114.394 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.Q170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.8 E 0.13 Q 0.05 C Shift Assignments>> C :: 174.325 CA :: 54.393 CB :: 34.771 CG :: 34.176 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 :: 7.629 HA :: 5.414 HB2 :: 1.725 HB3 :: 1.664 HG2 :: 2.181 HG3 :: 2.181 HE21 :: 7.590 HE22 :: 6.596 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 :: 116.433 NE2 :: 111.912 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.G171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.21 R 0.15 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 170.842 CA :: 44.621 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.854 HA2 :: 5.205 HA3 :: 3.526 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.189 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.N172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.24 K 0.14 N 0.1 F 0.07 Y 0.05 R 0.05 C Shift Assignments>> C :: 171.546 CA :: 53.729 CB :: 41.543 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 :: 7.637 HA :: 4.224 HB2 :: 2.714 HB3 :: 2.498 HD21 :: 7.301 HD22 :: 6.542 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 :: 112.667 ND2 :: 114.078 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.G173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 172.400 CA :: 47.199 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.103 HA2 :: 4.491 HA3 :: 4.084 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.686 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.K174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.08 M 0.03 A 0.01 G 0.01 C Shift Assignments>> C :: 172.518 CA :: 56.617 CB :: 35.373 CG :: 23.543 CD :: 28.498 CE :: 41.593 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 :: 9.179 HA :: 4.821 HB2 :: 1.815 HB3 :: 1.599 HG2 :: 1.162 HG3 :: 0.894 HD2 :: 1.370 HD3 :: 1.370 HE2 :: 2.714 HE3 :: 2.714 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 :: 121.816 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.I175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.997 CA :: 60.490 CB :: 39.573 CG2 :: 17.918 CD1 :: 14.784 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 :: 8.351 HA :: 4.581 HB :: 1.687 HG21 :: 0.733 HG22 :: 0.733 HG23 :: 0.733 HD11 :: 0.564 HD12 :: 0.564 HD13 :: 0.564 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 :: 123.400 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.E176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 E 0.27 C Shift Assignments>> C :: 175.392 CA :: 53.410 CB :: 35.479 CG :: 37.101 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 :: 8.492 HA :: 4.471 HB2 :: 1.351 HB3 :: 1.351 HG2 :: 1.885 HG3 :: 1.677 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 :: 122.287 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.H177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 L 0.15 Q 0.15 K 0.14 H 0.1 I 0.08 E 0.08 C Shift Assignments>> C :: 176.008 CA :: 57.533 CB :: 27.362 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 :: 8.431 HA :: 3.975 HB2 :: 3.418 HB3 :: 3.341 HD2 :: 6.715 HE1 :: 7.760 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 :: 109.605 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.L178 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 K 0.33 A 0.16 R 0.14 C Shift Assignments>> C :: 178.805 CA :: 56.034 CB :: 39.882 CG :: 31.257(S) CD1 :: 28.260 CD2 :: 22.366 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 :: 9.603 HA :: 4.276 HB2 :: 1.568 HB3 :: 1.120 HG :: 1.225 HD11 :: 0.485 HD12 :: 0.485 HD13 :: 0.485 HD21 :: 0.530 HD22 :: 0.530 HD23 :: 0.530 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 :: 124.374 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.36 M 0.04 G 0.01 C Shift Assignments>> C :: 177.660 CA :: 57.721 CB :: 31.949 CG :: 24.835 CD :: 28.954 CE :: 42.030 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 :: 10.002 HA :: 3.682 HB2 :: 1.653 HB3 :: 1.583 HG2 :: 1.550 HG3 :: 1.393 HD2 :: 1.583 HD3 :: 1.501 HE2 :: 2.915 HE3 :: 2.915 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 :: 122.880 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.S180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.086 CA :: 54.576 CB :: 62.715 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.262 HA :: 4.672 HB2 :: 3.642 HB3 :: 3.562 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 :: 115.187 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.P181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 65.359 CB :: 32.061 CG :: 27.192 CD :: 50.726 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 :: 3.956 HB2 :: 2.311 HB3 :: 1.873 HG2 :: 1.995 HG3 :: 1.921 HD2 :: 4.101 HD3 :: 3.763 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.E182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 K 0.14 I 0.11 M 0.08 Q 0.04 HN Overlap>> 1.D136 1.D136 C Shift Assignments>> C :: 173.944 CA :: 56.597 CB :: 29.581 CG :: 36.590 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 :: 8.076 HA :: 3.011 HB2 :: 1.663 HB3 :: 1.376 HG2 :: 1.978 HG3 :: 1.748 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 :: 113.034 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.L183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 L 0.28 R 0.01 C Shift Assignments>> C :: 175.597 CA :: 53.849 CB :: 41.152 CG :: 26.330 CD1 :: 20.744 CD2 :: 24.710 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 :: 7.126 HA :: 3.970 HB2 :: 1.385 HB3 :: 1.385 HG :: 1.239 HD11 :: 0.334 HD12 :: 0.334 HD13 :: 0.334 HD21 :: 0.716 HD22 :: 0.716 HD23 :: 0.716 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 :: 112.896 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.N184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 E 0.15 M 0.12 Y 0.09 F 0.04 K 0.04 D 0.03 Q 0.01 C Shift Assignments>> C :: 175.694 CA :: 53.200 CB :: 36.466 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 :: 6.952 HA :: 4.596 HB2 :: 2.743 HB3 :: 2.669 HD21 :: 7.080 HD22 :: 7.080 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 :: 117.865 ND2 :: 112.366 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.V185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 I 0.04 A 0.02 C Shift Assignments>> C :: 174.874 CA :: 59.753 CB :: 33.035 CG1 :: 21.939 CG2 :: 17.258 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 :: 7.178 HA :: 4.480 HB :: 2.161 HG11 :: 0.642 HG12 :: 0.642 HG13 :: 0.642 HG21 :: 0.444 HG22 :: 0.444 HG23 :: 0.444 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 :: 113.276 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.D186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.24 K 0.16 N 0.08 F 0.07 R 0.07 Y 0.06 C Shift Assignments>> C :: 174.919 CA :: 54.058 CB :: 41.635 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 :: 8.827 HA :: 4.779 HB2 :: 2.410 HB3 :: 2.410 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 :: 118.111 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.L187 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.58 L 0.41 HN Overlap>> 1.D195 1.D195 C Shift Assignments>> CA :: 52.331 CB :: 38.187 CD1 :: 25.433 CD2 :: 22.628 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 :: 8.375 HA :: 4.146 HB2 :: 0.948 HB3 :: -0.061(S) HD11 :: 0.202 HD12 :: 0.202 HD13 :: 0.202 HD21 :: -0.026 HD22 :: -0.026 HD23 :: -0.026 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 :: 123.130 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.A188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.2 L 0.02 C Shift Assignments>> C :: 176.239 CA :: 52.498 CB :: 20.030 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.225 HA :: 4.098 HB1 :: 1.396 HB2 :: 1.396 HB3 :: 1.396 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.289 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.A189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.23 HN Overlap>> 1.A167 1.A167 C Shift Assignments>> C :: 178.131 CA :: 51.822 CB :: 17.367 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.275 HA :: 4.862 HB1 :: 1.102 HB2 :: 1.102 HB3 :: 1.102 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.010 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.A190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 A 0.18 M 0.08 K 0.08 P 0.07 R 0.01 C Shift Assignments>> C :: 175.141 CA :: 50.420 CB :: 23.461 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.823 HA :: 4.634 HB1 :: 1.211 HB2 :: 1.211 HB3 :: 1.211 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.018 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.D191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.25 K 0.16 N 0.07 R 0.07 F 0.07 Y 0.05 HN Overlap>> 1.K224 1.K224 C Shift Assignments>> C :: 176.028 CA :: 54.034 CB :: 41.691 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 :: 8.365 HA :: 5.160 HB2 :: 2.653 HB3 :: 2.343 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 :: 118.646 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.I192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 G 0.03 C Shift Assignments>> C :: 174.684 CA :: 60.951 CB :: 41.989 CG1 :: 27.082 CG2 :: 19.160 CD1 :: 14.860 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 :: 7.915 HA :: 4.315 HB :: 1.488 HG12 :: 1.118 HG13 :: 1.118 HG21 :: 0.934 HG22 :: 0.934 HG23 :: 0.934 HD11 :: 0.599 HD12 :: 0.599 HD13 :: 0.599 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 :: 119.664 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.K193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.09 G 0.02 A 0.01 HN Overlap>> 1.I83 1.I83 C Shift Assignments>> C :: 172.639 CA :: 53.361 CB :: 34.758 CG :: 24.540 CD :: 27.720 CE :: 41.808 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 :: 9.175 HA :: 4.530 HB2 :: 1.538 HB3 :: 1.358 HG2 :: 1.226 HG3 :: 1.226 HD2 :: 1.622 HD3 :: 1.622 HE2 :: 2.880 HE3 :: 2.880 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 :: 127.122 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.P194 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.D195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.36 L 0.09 F 0.04 Y 0.04 K 0.01 HN Overlap>> 1.A200 1.L187 1.A200 1.L187 C Shift Assignments>> C :: 179.300 CA :: 51.354 CB :: 40.324 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 :: 8.390 HA :: 4.550 HB2 :: 2.505 HB3 :: 3.111 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 :: 123.239 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.G196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.527 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.718 HA3 :: 3.437 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) FLAG polypeptide(L) 1.K197 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.93 M 0.05 HN Overlap>> 1.K116 1.K116 C Shift Assignments>> C :: 174.941 CA :: 55.054 CB :: 31.192 CG :: 24.903 CD :: 28.511 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 :: 7.740 HA :: 4.118 HB2 :: 0.585(S) HB3 :: 1.159 HG2 :: 1.077 HG3 :: 1.024 HD2 :: 1.418 HD3 :: 1.322 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 :: 120.305 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.R198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 K 0.3 R 0.09 C Shift Assignments>> C :: 175.152 CA :: 56.911 CB :: 26.584 CG :: 26.688 CD :: 41.704 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 :: 8.059 HA :: 3.441 HB2 :: 2.148 HB3 :: 2.098 HG2 :: 1.567 HG3 :: 1.567 HD2 :: 3.168 HD3 :: 3.168 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 :: 111.796 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.H199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 R 0.19 Q 0.16 H 0.16 K 0.15 E 0.05 M 0.02 C Shift Assignments>> C :: 174.866 CA :: 53.700 CB :: 27.838 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 :: 8.531 HA :: 4.812 HB2 :: 3.141 HB3 :: 2.818 HD2 :: 6.539 HE1 :: 7.600 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 :: 120.255 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.A200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.18 L 0.01 HN Overlap>> 1.D31 1.D31 1.D195 1.D195 C Shift Assignments>> C :: 175.840 CA :: 52.247 CB :: 19.838 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.492 HA :: 4.615 HB1 :: 1.209 HB2 :: 1.209 HB3 :: 1.209 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.237 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.V201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 I 0.06 C Shift Assignments>> C :: 173.390 CA :: 60.775 CB :: 35.488 CG1 :: 21.234 CG2 :: 18.978 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 :: 9.174 HA :: 4.976 HB :: 2.048 HG11 :: 0.768 HG12 :: 0.768 HG13 :: 0.768 HG21 :: 0.710 HG22 :: 0.710 HG23 :: 0.710 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 :: 123.250 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.I202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 G 0.01 HN Overlap>> 1.Q249 1.Q249 C Shift Assignments>> C :: 174.670 CA :: 60.815 CB :: 41.576 CG1 :: 27.053 CG2 :: 18.094 CD1 :: 13.538 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 :: 8.887 HA :: 4.312 HB :: 1.351 HG12 :: 1.221 HG13 :: 0.709 HG21 :: 0.652 HG22 :: 0.652 HG23 :: 0.652 HD11 :: 0.673 HD12 :: 0.673 HD13 :: 0.673 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 :: 122.699 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.S203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.984 CA :: 55.676 CB :: 64.355 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.416 HA :: 4.913 HB2 :: 3.611 HB3 :: 3.531 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 :: 122.067 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.G204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 R 0.05 C Shift Assignments>> C :: 172.482 CA :: 45.167 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.292 HA2 :: 4.432 HA3 :: 3.352 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.488 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.S205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.852 CA :: 58.806 CB :: 64.384 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.652 HA :: 5.027 HB2 :: 3.836 HB3 :: 3.637 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 :: 116.497 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.V206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 A 0.09 L 0.03 C Shift Assignments>> C :: 174.500 CA :: 58.764 CB :: 30.512 CG1 :: 24.409 CG2 :: 20.672 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 :: 7.400 HA :: 5.032 HB :: 1.620 HG11 :: 0.678 HG12 :: 0.678 HG13 :: 0.678 HG21 :: 0.609 HG22 :: 0.609 HG23 :: 0.609 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 :: 117.101 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.L207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.26 A 0.06 C Shift Assignments>> C :: 175.520 CA :: 52.630 CB :: 45.567 CG :: 27.322 CD1 :: 25.329 CD2 :: 22.933 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 :: 8.961 HA :: 5.312 HB2 :: 1.594 HB3 :: 1.035 HG :: 1.290 HD11 :: 0.733 HD12 :: 0.733 HD13 :: 0.733 HD21 :: 0.581 HD22 :: 0.581 HD23 :: 0.581 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 :: 124.185 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.Y208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.2 F 0.15 Y 0.12 R 0.11 D 0.1 I 0.02 N 0.01 C Shift Assignments>> C :: 175.964 CA :: 56.943 CB :: 41.736 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 :: 8.836 HA :: 4.766 HB2 :: 2.700 HB3 :: 2.752 HD1 :: 6.896 HD2 :: 6.896 HE1 :: 6.700 HE2 :: 6.700 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 :: 120.202 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.N209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 E 0.21 M 0.13 Y 0.11 K 0.05 F 0.05 D 0.03 Q 0.01 I 0.01 HN Overlap>> 1.K41 1.K41 C Shift Assignments>> C :: 174.336 CA :: 53.923 CB :: 36.468 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 :: 9.292 HA :: 4.001 HB2 :: 2.212 HB3 :: 2.749 HD21 :: 7.011 HD22 :: 6.476 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 :: 129.805 ND2 :: 111.590 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.Q210 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> K 0.43 Q 0.26 R 0.14 E 0.05 I 0.04 M 0.03 V 0.01 C Shift Assignments>> C :: 173.521 CA :: 57.881 CB :: 26.089 CG :: 34.020 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 :: 8.614 HA :: 3.453 HB2 :: 2.286 HB3 :: 2.187 HG2 :: 2.139 HG3 :: 2.139 HE21 :: 6.681 HE22 :: 7.391 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 :: 106.396(S) NE2 :: 112.488 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.A211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 L 0.02 C Shift Assignments>> C :: 176.432 CA :: 50.786 CB :: 20.499 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.657 HA :: 4.608 HB1 :: 1.369 HB2 :: 1.369 HB3 :: 1.369 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.338 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.E212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 K 0.19 I 0.16 Q 0.09 M 0.03 HN Overlap>> 1.I240 1.I240 C Shift Assignments>> C :: 177.924 CA :: 57.550 CB :: 28.811 CG :: 36.159 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 :: 8.712 HA :: 4.525 HB2 :: 1.980 HB3 :: 2.094 HG2 :: 2.394 HG3 :: 2.257 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 :: 122.631 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.12 G 0.02 M 0.01 A 0.01 HN Overlap>> 1.V78 1.V78 C Shift Assignments>> C :: 173.786 CA :: 53.115 CB :: 34.180 CG :: 24.540 CD :: 28.085 CE :: 41.908 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 :: 8.835 HA :: 4.612 HB2 :: 2.254 HB3 :: 1.281 HG2 :: 1.653 HG3 :: 1.459 HD2 :: 1.583 HD3 :: 1.583 HE2 :: 2.791 HE3 :: 2.791 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 :: 126.870 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.G214 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.53 L 0.22 R 0.17 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.926 CA :: 44.536 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.929 HA2 :: 5.469(S) HA3 :: 3.719 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.019 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.S215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.8 T 0.19 C Shift Assignments>> C :: 171.043 CA :: 56.810 CB :: 66.671 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.678 HA :: 5.460 HB2 :: 3.842 HB3 :: 3.790 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 :: 117.334 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.Y216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.22 D 0.17 F 0.11 R 0.09 Y 0.09 N 0.02 HN Overlap>> 1.S96 1.S96 C Shift Assignments>> C :: 172.789 CA :: 55.819 CB :: 41.681 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 :: 8.958 HA :: 5.389 HB2 :: 2.633 HB3 :: 2.429 HD1 :: 6.342 HD2 :: 6.342 HE1 :: 6.219 HE2 :: 6.219 HH :: 7.600 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 :: 117.645 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.S217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.G126 1.G126 C Shift Assignments>> C :: 173.125 CA :: 56.600 CB :: 64.500 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.837 HA :: 5.165 HB2 :: 3.651 HB3 :: 3.605 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 :: 115.593 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.L218 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.66 L 0.23 A 0.1 C Shift Assignments>> C :: 175.567 CA :: 53.138 CB :: 46.255 CG :: 25.361 CD1 :: 23.748 CD2 :: 23.043 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 :: 9.299 HA :: 4.748 HB2 :: 1.180 HB3 :: 0.930 HG :: 1.174 HD11 :: -0.383(S) HD12 :: -0.383(S) HD13 :: -0.383(S) HD21 :: 0.140 HD22 :: 0.140 HD23 :: 0.140 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 :: 123.523 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.G219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.3 G 0.18 D 0.04 F 0.04 K 0.02 Y 0.02 C Shift Assignments>> C :: 171.514 CA :: 43.777 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.041 HA2 :: 4.620 HA3 :: 3.413 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.999 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.I220 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.750 CA :: 60.421 CB :: 38.213 CG1 :: 27.770 CG2 :: 16.025 CD1 :: 13.844 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 :: 6.853 HA :: 4.615 HB :: 1.370 HG12 :: 1.204 HG13 :: 1.204 HG21 :: 0.999 HG22 :: 0.999 HG23 :: 0.999 HD11 :: 0.707 HD12 :: 0.707 HD13 :: 0.707 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 :: 120.223 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.F221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.25 K 0.21 L 0.18 F 0.15 Y 0.1 D 0.04 I 0.02 G 0.01 C Shift Assignments>> C :: 175.093 CA :: 58.053 CB :: 42.505 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 :: 9.392 HA :: 4.770 HB2 :: 2.220 HB3 :: 2.813 HD1 :: 6.544 HD2 :: 6.544 HE1 :: 6.715 HE2 :: 6.715 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 :: 128.229 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.G222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.19 K 0.17 D 0.1 F 0.07 Y 0.05 I 0.02 G 0.01 N 0.01 C Shift Assignments>> CA :: 42.438 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.675 HA2 :: 3.174 HA3 :: 4.311 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.634 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.G223 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.870 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) FLAG polypeptide(L) 1.K224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 K 0.37 M 0.13 Q 0.03 HN Overlap>> 1.D191 1.D191 C Shift Assignments>> C :: 174.717 CA :: 54.119 CB :: 30.821 CD :: 28.641 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 :: 8.366 HA :: 4.305 HB2 :: 1.822 HB3 :: 1.038 HD2 :: 1.496 HD3 :: 1.496 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 :: 118.720 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.A225 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.39 C Shift Assignments>> C :: 176.702 CA :: 51.868 CB :: 16.117 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.633 HA :: 3.810 HB1 :: 1.160 HB2 :: 1.160 HB3 :: 1.160 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.077 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.Q226 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.29 K 0.29 R 0.27 Q 0.06 M 0.04 I 0.01 E 0.01 C Shift Assignments>> C :: 175.992 CA :: 60.989 CB :: 28.695 CG :: 31.717 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 :: 9.387 HA :: 3.877 HB2 :: 1.836 HB3 :: 1.836 HG2 :: 2.253 HG3 :: 2.253 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 :: 117.991 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.E227 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.79 Q 0.11 E 0.07 C Shift Assignments>> C :: 174.939 CA :: 54.289 CB :: 33.797 CG :: 34.054 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 :: 8.825 HA :: 5.411 HB2 :: 1.722 HB3 :: 1.722 HG2 :: 2.174 HG3 :: 2.174 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 :: 116.638 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V228 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 V 0.32 I 0.18 C Shift Assignments>> C :: 174.839 CA :: 57.867 CB :: 35.379 CG1 :: 20.010 CG2 :: 17.430 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 :: 8.343 HA :: 5.544 HB :: 1.471 HG11 :: -0.038 HG12 :: -0.038 HG13 :: -0.038 HG21 :: 0.038 HG22 :: 0.038 HG23 :: 0.038 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 :: 109.304 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.A229 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.12 L 0.02 HN Overlap>> 1.S111 1.A102 1.S111 1.A102 C Shift Assignments>> C :: 176.417 CA :: 51.303 CB :: 20.301 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.475 HA :: 4.937 HB1 :: 1.051 HB2 :: 1.051 HB3 :: 1.051 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.653 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.G230 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 170.130 CA :: 46.221 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.361 HA2 :: 5.075 HA3 :: 4.017 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.104 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.S231 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 :: 171.360 CA :: 56.498 CB :: 66.398 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.889 HA :: 5.276 HB2 :: 3.837 HB3 :: 3.708 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 :: 115.308 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.A232 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 L 0.11 M 0.1 G 0.01 C Shift Assignments>> C :: 174.537 CA :: 49.904 CB :: 21.729 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.083 HA :: 5.148 HB1 :: 1.023 HB2 :: 1.023 HB3 :: 1.023 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.911 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.E233 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 M 0.37 Q 0.06 K 0.05 I 0.01 C Shift Assignments>> C :: 174.122 CA :: 54.786 CB :: 31.355 CG :: 36.137 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 :: 9.015 HA :: 4.631 HB2 :: 1.783 HB3 :: 1.783 HG2 :: 2.035 HG3 :: 1.874 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 :: 122.744 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V234 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 M 0.07 C Shift Assignments>> C :: 174.833 CA :: 61.427 CB :: 33.863 CG2 :: 21.406 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 :: 8.792 HA :: 4.394 HB :: 1.614 HG21 :: 0.651 HG22 :: 0.651 HG23 :: 0.651 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 :: 124.203 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.K235 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.3 M 0.04 HN Overlap>> 1.Y93 1.Y93 C Shift Assignments>> C :: 174.548 CA :: 55.955 CB :: 32.100 CG :: 25.143 CD :: 28.779 CE :: 41.547 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 :: 8.841 HA :: 3.981 HB2 :: 1.449 HB3 :: 1.642 HG2 :: 1.199 HG3 :: 1.199 HD2 :: 1.552 HD3 :: 1.552 HE2 :: 2.811 HE3 :: 2.811 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 :: 127.554 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.T236 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.482 CA :: 61.054 CB :: 72.642 CG2 :: 21.260 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 :: 7.212 HA :: 4.355 HB :: 4.278 HG21 :: 0.792 HG22 :: 0.792 HG23 :: 0.792 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 :: 114.463 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.V237 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 I 0.14 C Shift Assignments>> C :: 176.201 CA :: 64.701 CB :: 31.028 CG1 :: 20.105 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 :: 9.582 HA :: 3.849 HB :: 2.097 HG11 :: 0.871 HG12 :: 0.871 HG13 :: 0.871 HG21 :: 0.871 HG22 :: 0.871 HG23 :: 0.871 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 :: 120.670 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.N238 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.25 Y 0.05 F 0.05 L 0.04 C Shift Assignments>> C :: 173.835 CA :: 52.022 CB :: 39.176 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 :: 7.572 HA :: 4.882 HB2 :: 2.254 HB3 :: 2.888 HD21 :: 6.860 HD22 :: 7.583 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 :: 115.638 ND2 :: 113.609 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.G239 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.29 G 0.07 D 0.05 K 0.05 F 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 174.343 CA :: 43.316 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.362 HA2 :: 4.539 HA3 :: 3.728 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.650 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.I240 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E212 1.E212 C Shift Assignments>> C :: 176.899 CA :: 61.120 CB :: 36.906 CG1 :: 27.731 CG2 :: 17.309 CD1 :: 12.200 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 :: 8.672 HA :: 4.351 HB :: 1.629 HG12 :: 1.479 HG13 :: 1.029 HG21 :: 0.496 HG22 :: 0.496 HG23 :: 0.496 HD11 :: 0.716 HD12 :: 0.716 HD13 :: 0.716 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 :: 122.673 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.R241 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 R 0.47 G 0.01 C Shift Assignments>> C :: 173.925 CA :: 53.461 CB :: 31.910 CG :: 27.248 CD :: 41.828 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 :: 9.233 HA :: 4.370 HB2 :: 1.470 HB3 :: 1.470 HG2 :: 1.795 HG3 :: 1.795 HD2 :: 3.023 HD3 :: 3.023 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 :: 128.497 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.H242 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 K 0.24 Q 0.19 R 0.1 H 0.1 E 0.06 V 0.02 C Shift Assignments>> C :: 174.635 CA :: 55.759 CB :: 32.921 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 :: 8.519 HA :: 5.323 HB2 :: 2.935 HB3 :: 2.935 HD2 :: 7.148 HE1 :: 7.700 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 :: 121.131 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.I243 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 A 0.06 G 0.03 C Shift Assignments>> C :: 176.188 CA :: 58.524 CB :: 41.977 CG1 :: 25.358 CG2 :: 17.770 CD1 :: 13.945 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 :: 8.723 HA :: 4.522 HB :: 1.386 HG12 :: 1.215 HG13 :: 0.734 HG21 :: 0.540 HG22 :: 0.540 HG23 :: 0.540 HD11 :: 0.574 HD12 :: 0.574 HD13 :: 0.574 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 :: 119.438 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.G244 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.34 L 0.27 R 0.27 F 0.03 D 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 170.981 CA :: 44.178 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.351 HA2 :: 3.707 HA3 :: 2.119(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.700 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.L245 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.24 A 0.06 HN Overlap>> 1.T50 1.T50 C Shift Assignments>> C :: 174.501 CA :: 52.508 CB :: 46.764 CG :: 26.268 CD1 :: 23.775 CD2 :: 25.711 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 :: 7.833 HA :: 4.717 HB2 :: 0.776 HB3 :: 1.030 HG :: 0.483 HD11 :: 0.593 HD12 :: 0.593 HD13 :: 0.593 HD21 :: 0.380 HD22 :: 0.380 HD23 :: 0.380 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 :: 120.798 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.A246 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.16 L 0.15 C Shift Assignments>> C :: 173.363 CA :: 51.546 CB :: 21.524 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.906 HA :: 4.589 HB1 :: 0.922 HB2 :: 0.922 HB3 :: 0.922 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.885 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.A247 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 A 0.22 M 0.12 K 0.08 C Shift Assignments>> C :: 174.897 CA :: 51.723 CB :: 22.967 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.041 HA :: 4.726 HB1 :: 0.932 HB2 :: 0.932 HB3 :: 0.932 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.967 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.K248 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 K 0.2 C Shift Assignments>> C :: 175.094 CA :: 53.866 CB :: 36.312 CG :: 22.558 CE :: 40.408 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 :: 8.171 HA :: 5.731 HB2 :: 1.778 HB3 :: 2.064 HG2 :: 1.623 HG3 :: 1.623 HE2 :: 2.991 HE3 :: 2.991 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 :: 115.734 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.Q249 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 Q 0.31 M 0.14 R 0.11 E 0.08 HN Overlap>> 1.I202 1.I202 C Shift Assignments>> C :: 176.555 CA :: 57.134 CB :: 29.506 CG :: 32.960 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 :: 8.857 HA :: 4.280 HB2 :: 1.933 HB3 :: 1.766 HG2 :: 2.037 HG3 :: 2.037 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 :: 122.746 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.H250 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.15 L 0.12 M 0.1 H 0.09 N 0.08 Q 0.07 A 0.07 R 0.06 K 0.06 E 0.04 Y 0.04 F 0.03 S 0.01 C Shift Assignments>> C :: 173.743 CA :: 54.864 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 :: 8.622 HA :: 4.583 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 :: 124.229 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.H251 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.H252 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.H253 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.H254 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.H255 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 233 #Clerical: 0 #Suspicious: 20 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 246 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 252 #Suspicious: 3 C Shift Results: #Consistent: 927 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 H Shift Results: #Consistent:1605 #Duplicate: 0 #Unknown: 0 #Suspicious: 22 #Anomalous: 2 N Shift Results: #Consistent: 256 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.L18 CD1 = 16.249(S), Expected = 24.73, Std = 1.7100, ChiSquare = 7.0621e-07 1.Q32 H = 10.453(S), Expected = 8.22, Std = 0.6200, ChiSquare = 3.1625e-04 1.L42 HD11 = -0.317(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.6752e-05 1.L42 HD12 = -0.317(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.6752e-05 1.L42 HD13 = -0.317(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.6752e-05 1.E48 SRO Rule Break>> CG > CB : 0.99165623696287 1.L57 HG = 0.398(S), Expected = 1.54, Std = 0.3300, ChiSquare = 5.3896e-04 1.T59 CB = 63.510(S), Expected = 69.64, Std = 1.7000, ChiSquare = 3.1109e-04 1.F72 SRO Rule Break>> HD1 > HA : 0.997590361445783 1.F72 SRO Rule Break>> HD2 > HA : 0.997699827487062 1.F72 SRO Rule Break>> HZ > HA : 0.993127147766323 1.R74 CG = 32.980(S), Expected = 27.31, Std = 1.6500, ChiSquare = 5.8958e-04 1.R74 HD2 = 1.130(A), Expected = 3.13, Std = 0.2300, ChiSquare = 3.4484e-18 1.R74 HD3 = 1.130(A), Expected = 3.13, Std = 0.2200, ChiSquare = 9.8214e-20 1.R74 SRO Rule Break>> HD2 > HB2 : 0.994969040247678 1.R74 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.R74 SRO Rule Break>> HD2 > HB3 : 0.995112016293279 1.R74 SRO Rule Break>> HD3 > HB3 : 0.995794785534062 1.R74 SRO Rule Break>> HD2 > HG2 : 0.997606701236538 1.R74 SRO Rule Break>> HD3 > HG2 : 0.997402597402597 1.R74 SRO Rule Break>> HD2 > HG3 : 0.998289867464728 1.R74 SRO Rule Break>> HD3 > HG3 : 0.998244844229925 1.K94 H = 5.813(S), Expected = 8.22, Std = 0.6400, ChiSquare = 1.6928e-04 1.S96 HA = 3.041(S), Expected = 4.51, Std = 0.4300, ChiSquare = 6.3483e-04 1.S98 HB2 = 2.817(S), Expected = 3.88, Std = 0.2900, ChiSquare = 2.4684e-04 1.S98 HB3 = 2.817(S), Expected = 3.87, Std = 0.3100, ChiSquare = 6.8185e-04 1.E106 Typing: Mistyped 1.E106 CG = 42.610(S), Expected = 36.01, Std = 1.5100, ChiSquare = 1.2376e-05 1.P139 HG2 = 0.668(S), Expected = 1.93, Std = 0.3600, ChiSquare = 4.5566e-04 1.P139 HD3 = 2.270(S), Expected = 3.63, Std = 0.4000, ChiSquare = 6.7386e-04 1.L160 HG = 0.328(S), Expected = 1.54, Std = 0.3300, ChiSquare = 2.3998e-04 1.I164 HG21 = -0.330(S), Expected = 0.80, Std = 0.2900, ChiSquare = 9.7572e-05 1.I164 HG22 = -0.330(S), Expected = 0.80, Std = 0.2900, ChiSquare = 9.7572e-05 1.I164 HG23 = -0.330(S), Expected = 0.80, Std = 0.2900, ChiSquare = 9.7572e-05 1.L178 CG = 31.257(S), Expected = 26.77, Std = 1.2500, ChiSquare = 3.3119e-04 1.L187 HB3 = -0.061(S), Expected = 1.57, Std = 0.3600, ChiSquare = 5.8829e-06 1.K197 HB2 = 0.585(S), Expected = 1.79, Std = 0.2500, ChiSquare = 1.4356e-06 1.Q210 N = 106.396(S), Expected = 119.92, Std = 4.0100, ChiSquare = 7.4471e-04 1.G214 HA2 = 5.469(S), Expected = 3.95, Std = 0.4000, ChiSquare = 1.4616e-04 1.L218 HD11 = -0.383(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.9515e-05 1.L218 HD12 = -0.383(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.9515e-05 1.L218 HD13 = -0.383(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.9515e-05 1.G244 HA3 = 2.119(S), Expected = 3.93, Std = 0.4000, ChiSquare = 5.9686e-06