Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.46 M 0.43 A 0.08 I 0.01 C Shift Assignments>> C :: 180.127 CA :: 56.890 CB :: 34.697 CG :: 32.428 CE :: 18.376 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>> HA :: 3.997 HB2 :: 2.044 HB3 :: 2.044 HG2 :: 2.493 HG3 :: 2.493 HE1 :: 1.975 HE2 :: 1.975 HE3 :: 1.975 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) 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 E 0.11 I 0.05 M 0.04 C Shift Assignments>> C :: 175.827 CA :: 58.063 CB :: 33.147 CG :: 38.422 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 :: 8.722 HA :: 4.557 HB2 :: 1.804 HB3 :: 1.928 HG2 :: 2.150 HG3 :: 2.150 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 :: 124.627 Ave N Shift Values>> N :: 120.68(3.68) 1.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.56 C 0.43 C Shift Assignments>> CA :: 61.734 CB :: 70.590 CG2 :: 24.303 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 :: 8.670 HA :: 4.616 HB :: 4.756 HG21 :: 1.162 HG22 :: 1.162 HG23 :: 1.162 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.274 Ave N Shift Values>> N :: 115.7(5.05) 1.P4 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.99 C Shift Assignments>> C :: 172.227 CA :: 68.211(A) CB :: 33.796 CG :: 29.782 CD :: 52.090 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 :: 4.161 HB2 :: 2.346 HB3 :: 1.854 HG2 :: 2.179 HG3 :: 1.935 HD2 :: 3.817 HD3 :: 4.036 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) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.35 G 0.18 L 0.06 K 0.02 C Shift Assignments>> C :: 174.327 CA :: 59.483 CB :: 43.877 CG :: 28.732 CD1 :: 27.588 CD2 :: 24.702 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 :: 9.207 HA :: 4.038 HB2 :: 1.523 HB3 :: 1.694 HG :: 1.537 HD11 :: 0.779 HD12 :: 0.779 HD13 :: 0.779 HD21 :: 0.880 HD22 :: 0.880 HD23 :: 0.880 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.157 Ave N Shift Values>> N :: 121.98(4.07) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.44 E 0.03 C Shift Assignments>> C :: 172.727 CA :: 61.953 CB :: 31.354 CG :: 39.174 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 :: 7.661 HA :: 3.755 HB2 :: 2.205 HB3 :: 2.205 HG2 :: 2.407 HG3 :: 2.222 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 :: 119.837 Ave N Shift Values>> N :: 120.68(3.68) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.35 G 0.2 K 0.02 HN Overlap>> 1.S25 1.S25 C Shift Assignments>> C :: 172.927 CA :: 61.312 CB :: 33.861 CG :: 26.739 CD :: 30.863 CE :: 43.715 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 :: 8.430 HA :: 3.921 HB2 :: 1.790 HB3 :: 1.830 HG2 :: 1.300 HG3 :: 1.300 HD2 :: 1.535 HD3 :: 1.535 HE2 :: 2.847 HE3 :: 2.847 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 :: 119.023 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 V 0.11 A 0.11 C 0.08 T 0.08 L 0.05 I 0.04 HN Overlap>> 1.V74 1.V74 C Shift Assignments>> C :: 173.027 CA :: 56.967 CB :: 20.140 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.079 HA :: 4.085 HB1 :: 1.618 HB2 :: 1.618 HB3 :: 1.618 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.824 Ave N Shift Values>> N :: 123.23(3.7) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.41 K 0.06 L 0.05 G 0.05 C Shift Assignments>> C :: 172.527 CA :: 60.071 CB :: 42.714 CG :: 28.689 CD1 :: 23.598 CD2 :: 27.367 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 :: 8.032 HA :: 4.061 HB2 :: 1.939 HB3 :: 1.939 HG :: 1.844 HD11 :: 0.717 HD12 :: 0.717 HD13 :: 0.717 HD21 :: 0.804 HD22 :: 0.804 HD23 :: 0.804 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 :: 118.643 Ave N Shift Values>> N :: 121.98(4.07) 1.T10 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.127 CA :: 69.282(A) CB :: 70.132 CG2 :: 24.049 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 :: 8.686 HA :: 3.798 HB :: 4.326 HG21 :: 1.173 HG22 :: 1.173 HG23 :: 1.173 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 :: 117.087 Ave N Shift Values>> N :: 115.7(5.05) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 174.427 CA :: 68.408 CB :: 69.107 CG2 :: 23.172 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 :: 8.628 HA :: 3.961 HB :: 4.363 HG21 :: 0.965 HG22 :: 0.965 HG23 :: 0.965 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 :: 120.770 Ave N Shift Values>> N :: 115.7(5.05) 1.M12 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 M 0.06 I 0.05 C Shift Assignments>> C :: 175.127 CA :: 62.750(A) CB :: 34.952 CG :: 34.397 CE :: 18.031 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 :: 8.390 HA :: 3.956 HB2 :: 2.698 HB3 :: 2.598 HG2 :: 2.319 HG3 :: 2.274 HE1 :: 1.809 HE2 :: 1.809 HE3 :: 1.809 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 :: 124.388 Ave N Shift Values>> N :: 120.1(3.88) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 HN Overlap>> 1.L37 1.L37 C Shift Assignments>> C :: 175.327 CA :: 68.958 CB :: 33.703 CG1 :: 24.923 CG2 :: 22.293 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 :: 8.104 HA :: 3.576 HB :: 2.056 HG11 :: 0.728 HG12 :: 0.728 HG13 :: 0.728 HG21 :: 0.033 HG22 :: 0.033 HG23 :: 0.033 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 :: 121.753 Ave N Shift Values>> N :: 121.02(4.96) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 173.927 CA :: 67.955 CB :: 70.504 CG2 :: 23.472 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 :: 9.186 HA :: 3.774 HB :: 4.172 HG21 :: 1.192 HG22 :: 1.192 HG23 :: 1.192 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 :: 114.911 Ave N Shift Values>> N :: 115.7(5.05) 1.T15 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.M56 1.M56 C Shift Assignments>> C :: 178.127 CA :: 69.609(A) CB :: 70.511 CG2 :: 23.341 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 :: 8.453 HA :: 3.859 HB :: 4.198 HG1 :: 5.062 HG21 :: 1.328 HG22 :: 1.328 HG23 :: 1.328 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.791 Ave N Shift Values>> N :: 115.7(5.05) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.15 F 0.15 Y 0.08 C Shift Assignments>> C :: 178.527 CA :: 64.090 CB :: 41.091 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.207 HA :: 3.572 HB2 :: 3.257 HB3 :: 2.728 HD1 :: 6.979 HD2 :: 6.979 HE1 :: 6.212 HE2 :: 6.212 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 :: 121.331 Ave N Shift Values>> N :: 120.69(4.18) 1.H17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 M 0.18 C 0.18 R 0.12 H 0.1 Q 0.09 E 0.08 V 0.03 C Shift Assignments>> C :: 174.627 CA :: 56.667 CB :: 32.397 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 :: 8.393 HA :: 5.329 HB2 :: 2.958 HB3 :: 2.798 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 :: 117.858 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.3 G 0.21 K 0.02 M 0.01 C Shift Assignments>> C :: 175.527 CA :: 61.301 CB :: 33.523 CG :: 26.074 CD :: 31.288 CE :: 43.710 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 :: 7.767 HA :: 3.553 HB2 :: 1.923 HB3 :: 1.771 HG2 :: 1.244 HG3 :: 1.244 HD2 :: 1.550 HD3 :: 1.550 HE2 :: 2.593 HE3 :: 2.593 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 :: 120.691 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 C 0.19 I 0.18 Y 0.14 K 0.1 R 0.09 L 0.02 G 0.01 C Shift Assignments>> C :: 174.227 CA :: 61.287 CB :: 42.066 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 :: 7.079 HA :: 3.993 HB2 :: 2.539 HB3 :: 2.488 HD1 :: 7.306 HD2 :: 7.306 HE1 :: 6.585 HE2 :: 6.585 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 :: 114.592 Ave N Shift Values>> N :: 120.79(4.69) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.227 CA :: 60.135 CB :: 63.159 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.708 HA :: 4.117 HB2 :: 3.526 HB3 :: 3.526 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 :: 121.764 Ave N Shift Values>> N :: 116.3(3.95) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 177.927 CA :: 46.646 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.146 HA2 :: 3.956 HA3 :: 3.571 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.982 Ave N Shift Values>> N :: 109.91(4.29) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 C 0.39 R 0.03 C Shift Assignments>> C :: 175.927 CA :: 60.766 CB :: 32.302 CG :: 28.918 CD :: 45.595 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 :: 7.007 HA :: 3.815 HB2 :: 1.730 HB3 :: 1.730 HG2 :: 1.625 HG3 :: 1.458 HD2 :: 3.088 HD3 :: 3.088 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.055 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 E 0.13 M 0.13 C Shift Assignments>> C :: 177.727 CA :: 56.853 CB :: 33.988 CG :: 36.800 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 :: 7.551 HA :: 4.436 HB2 :: 2.031 HB3 :: 1.768 HG2 :: 2.032 HG3 :: 2.032 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 :: 114.631 Ave N Shift Values>> N :: 120.68(3.68) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 C 0.26 P 0.08 A 0.04 L 0.02 N 0.01 C Shift Assignments>> C :: 177.127 CA :: 47.718 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.376 HA2 :: 3.771 HA3 :: 3.567 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.626 Ave N Shift Values>> N :: 109.91(4.29) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 HN Overlap>> 1.K7 1.K7 C Shift Assignments>> C :: 175.527 CA :: 59.146 CB :: 65.573 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.443 HA :: 4.314 HB2 :: 3.899 HB3 :: 3.814 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 :: 119.000 Ave N Shift Values>> N :: 116.3(3.95) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.36 K 0.11 G 0.09 M 0.02 C Shift Assignments>> C :: 176.027 CA :: 59.180 CB :: 33.211 CG :: 26.044 CD :: 30.452 CE :: 43.579 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 :: 8.821 HA :: 4.307 HB2 :: 1.770 HB3 :: 1.770 HG2 :: 1.255 HG3 :: 1.255 HD2 :: 1.677 HD3 :: 1.677 HE2 :: 2.844 HE3 :: 2.844 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 :: 126.125 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 R 0.27 L 0.21 G 0.19 C Shift Assignments>> C :: 175.627 CA :: 56.384 CB :: 44.218 CG :: 28.446 CD1 :: 26.851 CD2 :: 24.318 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 :: 8.237 HA :: 4.534 HB2 :: 1.744 HB3 :: 1.675 HG :: 1.341 HD11 :: 0.794 HD12 :: 0.794 HD13 :: 0.794 HD21 :: 0.575 HD22 :: 0.575 HD23 :: 0.575 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 :: 117.484 Ave N Shift Values>> N :: 121.98(4.07) 1.T28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 T 0.03 C Shift Assignments>> C :: 180.227 CA :: 61.014 CB :: 75.348(S) CG2 :: 23.097 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 :: 7.386 HA :: 5.517 HB :: 4.110 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 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 :: 106.230 Ave N Shift Values>> N :: 115.7(5.05) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 C 0.46 R 0.05 L 0.01 C Shift Assignments>> C :: 176.927 CA :: 55.163 CB :: 46.059 CG :: 28.870 CD1 :: 28.002 CD2 :: 27.203 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 :: 8.721 HA :: 4.713 HB2 :: 1.418 HB3 :: 1.152 HG :: 1.363 HD11 :: 0.323 HD12 :: 0.323 HD13 :: 0.323 HD21 :: 0.470 HD22 :: 0.470 HD23 :: 0.470 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 :: 116.728 Ave N Shift Values>> N :: 121.98(4.07) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.63 S 0.36 C Shift Assignments>> C :: 176.327 CA :: 59.032 CB :: 67.150 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.866 HA :: 4.942 HB2 :: 3.900 HB3 :: 3.900 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 :: 117.110 Ave N Shift Values>> N :: 116.3(3.95) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.23 HN Overlap>> 1.L34 1.L34 C Shift Assignments>> C :: 174.127 CA :: 62.776 CB :: 31.601 CG :: 31.212 CD :: 45.141 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 :: 8.393 HA :: 3.695 HB2 :: 1.850 HB3 :: 1.850 HG2 :: 1.919 HG3 :: 1.919 HD2 :: 3.257 HD3 :: 3.158 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 :: 121.109 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.34 G 0.18 K 0.03 C Shift Assignments>> C :: 172.827 CA :: 61.591 CB :: 34.116 CG :: 26.350 CD :: 30.974 CE :: 43.504 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 :: 8.264 HA :: 3.912 HB2 :: 1.723 HB3 :: 1.649 HG2 :: 1.317 HG3 :: 1.317 HD2 :: 1.529 HD3 :: 1.529 HE2 :: 2.803 HE3 :: 2.803 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 :: 118.536 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.35 E 0.07 C Shift Assignments>> C :: 174.327 CA :: 60.634 CB :: 31.617 CG :: 39.020 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 :: 7.790 HA :: 4.049 HB2 :: 1.860 HB3 :: 2.193 HG2 :: 2.253 HG3 :: 2.253 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 :: 121.557 Ave N Shift Values>> N :: 120.68(3.68) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.32 L 0.1 K 0.09 G 0.01 HN Overlap>> 1.R31 1.R31 C Shift Assignments>> C :: 174.927 CA :: 59.173 CB :: 42.053 CG :: 27.517 CD1 :: 25.664 CD2 :: 28.105 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 :: 8.388 HA :: 3.844 HB2 :: 1.957 HB3 :: 1.122 HG :: 1.197 HD11 :: 0.967 HD12 :: 0.967 HD13 :: 0.967 HD21 :: 0.344 HD22 :: 0.344 HD23 :: 0.344 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 :: 120.999 Ave N Shift Values>> N :: 121.98(4.07) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.29 G 0.26 C Shift Assignments>> C :: 174.627 CA :: 62.312 CB :: 33.814 CG :: 27.174 CD :: 31.524 CE :: 43.592 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 :: 7.817 HA :: 3.478 HB2 :: 1.864 HB3 :: 1.664 HG2 :: 1.179 HG3 :: 1.275 HD2 :: 1.512 HD3 :: 1.512 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 :: 118.738 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.36 E 0.21 M 0.02 C Shift Assignments>> C :: 175.227 CA :: 61.015 CB :: 30.770 CG :: 37.346 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 :: 7.208 HA :: 3.801 HB2 :: 2.175 HB3 :: 1.964 HG2 :: 2.360 HG3 :: 2.201 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 :: 118.771 Ave N Shift Values>> N :: 120.68(3.68) 1.L37 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.28 G 0.14 K 0.11 M 0.01 HN Overlap>> 1.V13 1.V13 C Shift Assignments>> C :: 172.927 CA :: 60.915 CB :: 43.352 CG :: 30.416 CD1 :: 25.058 CD2 :: 30.234(A) 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 :: 8.038 HA :: 3.178 HB2 :: 1.542 HB3 :: 1.542 HG :: 1.127 HD11 :: 0.609 HD12 :: 0.609 HD13 :: 0.609 HD21 :: 0.592 HD22 :: 0.592 HD23 :: 0.592 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 :: 121.767 Ave N Shift Values>> N :: 121.98(4.07) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 174.727 CA :: 66.464 CB :: 38.799 CG1 :: 29.958 CG2 :: 19.725 CD1 :: 14.824 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 :: 8.224 HA :: 3.234 HB :: 1.810 HG12 :: 1.485 HG13 :: 1.260 HG21 :: 0.804 HG22 :: 0.804 HG23 :: 0.804 HD11 :: 0.662 HD12 :: 0.662 HD13 :: 0.662 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 :: 119.417 Ave N Shift Values>> N :: 121.6(4.72) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.38 G 0.14 K 0.03 C Shift Assignments>> C :: 173.727 CA :: 61.015 CB :: 34.100 CG :: 26.615 CD :: 31.003 CE :: 43.484 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 :: 7.700 HA :: 3.894 HB2 :: 1.799 HB3 :: 1.799 HG2 :: 1.487 HG3 :: 1.487 HD2 :: 1.532 HD3 :: 1.532 HE2 :: 2.783 HE3 :: 2.783 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 :: 117.277 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.39 G 0.17 C Shift Assignments>> C :: 173.427 CA :: 59.251 CB :: 35.528 CG :: 27.532 CD :: 30.872 CE :: 43.996 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 :: 8.170 HA :: 4.226 HB2 :: 2.028 HB3 :: 1.773 HG2 :: 1.527 HG3 :: 1.394 HD2 :: 1.676 HD3 :: 1.529 HE2 :: 2.923 HE3 :: 2.923 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 :: 115.146 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 E 0.31 M 0.09 I 0.07 C Shift Assignments>> C :: 175.527 CA :: 57.177 CB :: 31.656 CG :: 37.690 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 :: 8.778 HA :: 4.629 HB2 :: 2.264 HB3 :: 2.264 HG2 :: 2.170 HG3 :: 2.170 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 :: 113.604 Ave N Shift Values>> N :: 120.68(3.68) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 C 0.39 L 0.07 R 0.06 C Shift Assignments>> C :: 177.227 CA :: 56.047 CB :: 45.748 CG :: 28.515 CD1 :: 27.256 CD2 :: 25.908 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 :: 7.610 HA :: 4.475 HB2 :: 1.751 HB3 :: 1.408 HG :: 1.387 HD11 :: 0.719 HD12 :: 0.719 HD13 :: 0.719 HD21 :: 0.736 HD22 :: 0.736 HD23 :: 0.736 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 :: 118.997 Ave N Shift Values>> N :: 121.98(4.07) 1.C43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 C 0.16 R 0.13 K 0.1 Q 0.08 E 0.08 H 0.06 P 0.03 L 0.03 V 0.01 C Shift Assignments>> C :: 177.327 CA :: 60.023 CB :: 27.915 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.501 HA :: 4.397 HB2 :: 2.886 HB3 :: 2.693 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.622 Ave N Shift Values>> N :: 119.95(4.79) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.34 L 0.17 G 0.11 K 0.02 C Shift Assignments>> C :: 173.927 CA :: 57.244 CB :: 43.622 CG :: 28.046 CD1 :: 23.891 CD2 :: 27.426 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 :: 8.200 HA :: 3.979 HB2 :: 1.416 HB3 :: 1.199 HG :: 1.331 HD11 :: 0.303 HD12 :: 0.303 HD13 :: 0.303 HD21 :: 0.492 HD22 :: 0.492 HD23 :: 0.492 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 :: 121.955 Ave N Shift Values>> N :: 121.98(4.07) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.18 L 0.03 C Shift Assignments>> C :: 178.027 CA :: 47.023 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.244 HA2 :: 3.849 HA3 :: 3.789 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.702 Ave N Shift Values>> N :: 109.91(4.29) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.3 I 0.17 M 0.05 C Shift Assignments>> C :: 175.127 CA :: 59.176 CB :: 31.361 CG :: 37.571 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 :: 8.286 HA :: 4.039 HB2 :: 1.987 HB3 :: 1.833 HG2 :: 2.165 HG3 :: 2.103 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 :: 119.602 Ave N Shift Values>> N :: 120.68(3.68) 1.M47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.39 A 0.02 C Shift Assignments>> C :: 175.727 CA :: 58.183 CB :: 34.087 CG :: 33.609 CE :: 18.735 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 :: 8.048 HA :: 4.229 HB2 :: 1.901 HB3 :: 1.901 HG2 :: 2.278 HG3 :: 2.401 HE1 :: 1.784 HE2 :: 1.784 HE3 :: 1.784 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 :: 119.617 Ave N Shift Values>> N :: 120.1(3.88) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.37 G 0.13 K 0.05 M 0.02 HN Overlap>> 1.E71 1.E71 C Shift Assignments>> C :: 174.927 CA :: 58.304 CB :: 34.548 CG :: 26.335 CD :: 30.537 CE :: 43.885 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 :: 8.221 HA :: 4.217 HB2 :: 1.666 HB3 :: 1.666 HG2 :: 1.382 HG3 :: 1.304 HD2 :: 1.547 HD3 :: 1.547 HE2 :: 2.885 HE3 :: 2.885 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 :: 120.987 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 I 0.33 E 0.2 M 0.02 C Shift Assignments>> C :: 174.427 CA :: 60.298 CB :: 31.065 CG :: 37.970 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 :: 8.346 HA :: 3.922 HB2 :: 2.182 HB3 :: 1.941 HG2 :: 2.191 HG3 :: 2.191 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 :: 121.867 Ave N Shift Values>> N :: 120.68(3.68) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.88 T 0.11 C Shift Assignments>> C :: 176.027 CA :: 62.548 CB :: 64.840 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.348 HA :: 4.172 HB2 :: 3.874 HB3 :: 3.874 HG :: 4.666 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 :: 115.695 Ave N Shift Values>> N :: 116.3(3.95) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.87 T 0.12 C Shift Assignments>> C :: 174.427 CA :: 62.828 CB :: 64.749 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.980 HA :: 4.258 HB2 :: 3.851 HB3 :: 3.851 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 :: 117.126 Ave N Shift Values>> N :: 116.3(3.95) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 175.627 CA :: 64.609 CB :: 39.272 CG1 :: 29.348 CG2 :: 19.672 CD1 :: 15.282 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 :: 7.365 HA :: 4.038 HB :: 1.983 HG12 :: 1.377 HG13 :: 1.072 HG21 :: 0.796 HG22 :: 0.796 HG23 :: 0.796 HD11 :: 0.710 HD12 :: 0.710 HD13 :: 0.710 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 :: 117.484 Ave N Shift Values>> N :: 121.6(4.72) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.25 C 0.17 F 0.15 K 0.11 Y 0.1 L 0.08 I 0.04 G 0.04 C Shift Assignments>> C :: 174.027 CA :: 59.799 CB :: 42.927 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 :: 7.681 HA :: 4.214 HB2 :: 2.633 HB3 :: 2.506 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 :: 121.969 Ave N Shift Values>> N :: 120.73(4.2) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 K 0.18 C 0.16 Y 0.15 R 0.1 I 0.08 L 0.07 D 0.01 C Shift Assignments>> C :: 172.927 CA :: 59.507 CB :: 41.818 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 :: 8.227 HA :: 4.231 HB2 :: 2.596 HB3 :: 2.496 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 :: 118.083 Ave N Shift Values>> N :: 120.73(4.2) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.28 L 0.2 G 0.12 K 0.01 C Shift Assignments>> C :: 171.927 CA :: 59.965 CB :: 43.370 CG :: 27.990 CD1 :: 26.419 CD2 :: 25.170 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 :: 7.650 HA :: 4.016 HB2 :: 1.679 HB3 :: 1.339 HG :: 0.710 HD11 :: 0.639 HD12 :: 0.639 HD13 :: 0.639 HD21 :: 0.528 HD22 :: 0.528 HD23 :: 0.528 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 :: 121.634 Ave N Shift Values>> N :: 121.98(4.07) 1.M56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.43 I 0.03 HN Overlap>> 1.T15 1.T15 C Shift Assignments>> C :: 172.527 CA :: 59.221 CB :: 34.106 CG :: 32.228 CE :: 18.215 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 :: 8.429 HA :: 4.325 HB2 :: 2.657 HB3 :: 2.456 HG2 :: 2.215 HG3 :: 1.886 HE1 :: 1.825 HE2 :: 1.825 HE3 :: 1.825 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 :: 118.696 Ave N Shift Values>> N :: 120.1(3.88) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.36 G 0.19 K 0.01 C Shift Assignments>> C :: 172.527 CA :: 60.872 CB :: 33.853 CG :: 26.930 CD :: 31.026 CE :: 43.787 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 :: 8.249 HA :: 3.996 HB2 :: 1.820 HB3 :: 1.820 HG2 :: 1.305 HG3 :: 1.305 HD2 :: 1.551 HD3 :: 1.551 HE2 :: 2.855 HE3 :: 2.855 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 :: 119.855 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.87 T 0.12 C Shift Assignments>> C :: 176.527 CA :: 63.029 CB :: 64.686 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.729 HA :: 4.125 HB2 :: 3.980 HB3 :: 3.980 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 :: 115.984 Ave N Shift Values>> N :: 116.3(3.95) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.32 L 0.26 K 0.03 G 0.03 C Shift Assignments>> C :: 175.827 CA :: 57.364 CB :: 42.712 CG :: 27.955 CD1 :: 23.846 CD2 :: 26.923 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 :: 7.288 HA :: 4.058 HB2 :: 1.733 HB3 :: 1.355 HG :: 1.605 HD11 :: 0.513 HD12 :: 0.513 HD13 :: 0.513 HD21 :: 0.327 HD22 :: 0.327 HD23 :: 0.327 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 :: 120.622 Ave N Shift Values>> N :: 121.98(4.07) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 L 0.2 R 0.19 C 0.11 F 0.1 Y 0.08 D 0.07 I 0.01 C Shift Assignments>> C :: 175.927 CA :: 57.012 CB :: 42.351 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 :: 7.431 HA :: 4.386 HB2 :: 2.700 HB3 :: 2.533 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 :: 116.755 Ave N Shift Values>> N :: 120.73(4.2) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.38 G 0.12 K 0.05 M 0.02 C Shift Assignments>> C :: 176.527 CA :: 57.287 CB :: 34.683 CG :: 26.268 CD :: 30.669 CE :: 43.878 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 :: 7.243 HA :: 4.223 HB2 :: 1.680 HB3 :: 1.680 HG2 :: 1.316 HG3 :: 1.261 HD2 :: 1.547 HD3 :: 1.547 HE2 :: 2.848 HE3 :: 2.848 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 :: 119.913 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.18 C 0.18 Y 0.17 F 0.16 N 0.15 L 0.07 I 0.02 E 0.01 K 0.01 C Shift Assignments>> C :: 175.627 CA :: 55.452 CB :: 39.336 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 :: 8.725 HA :: 4.462 HB2 :: 2.787 HB3 :: 2.638 HD21 :: 7.582 HD22 :: 6.850 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 :: 120.247 ND2 :: 113.113 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.52 T 0.47 C Shift Assignments>> C :: 174.827 CA :: 62.954 CB :: 65.586 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.061 HA :: 3.957 HB2 :: 3.780 HB3 :: 3.780 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 :: 113.249 Ave N Shift Values>> N :: 116.3(3.95) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.18 R 0.17 D 0.12 C 0.1 F 0.08 Y 0.06 N 0.01 C Shift Assignments>> C :: 176.027 CA :: 55.789 CB :: 42.365 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 :: 8.408 HA :: 4.573 HB2 :: 2.621 HB3 :: 2.553 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 :: 117.587 Ave N Shift Values>> N :: 120.73(4.2) 1.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 M 0.17 Q 0.06 K 0.04 I 0.04 C Shift Assignments>> C :: 176.827 CA :: 58.241 CB :: 31.309 CG :: 35.633 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 :: 7.779 HA :: 4.026 HB2 :: 1.980 HB3 :: 1.980 HG2 :: 2.315 HG3 :: 2.265 HE21 :: 7.600 HE22 :: 6.757 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 :: 121.059 NE2 :: 112.787 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 E 0.18 I 0.07 M 0.06 C Shift Assignments>> C :: 176.227 CA :: 58.238 CB :: 32.567 CG :: 38.122 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 :: 8.365 HA :: 4.320 HB2 :: 1.949 HB3 :: 1.818 HG2 :: 2.223 HG3 :: 2.223 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.061 Ave N Shift Values>> N :: 120.68(3.68) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.48 C Shift Assignments>> C :: 178.127 CA :: 61.173 CB :: 41.460 CG1 :: 27.804 CG2 :: 19.692 CD1 :: 15.811 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 :: 9.350 HA :: 4.543 HB :: 1.952 HG12 :: 1.411 HG13 :: 1.073 HG21 :: 0.827 HG22 :: 0.827 HG23 :: 0.827 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 :: 121.809 Ave N Shift Values>> N :: 121.6(4.72) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 G 0.21 R 0.18 C 0.12 D 0.09 F 0.02 K 0.02 Y 0.01 C Shift Assignments>> C :: 176.127 CA :: 53.471 CB :: 43.898 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 :: 8.140 HA :: 5.408 HB2 :: 3.475 HB3 :: 2.643 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 :: 122.626 Ave N Shift Values>> N :: 120.73(4.2) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 C 0.2 F 0.17 Y 0.09 G 0.04 R 0.02 K 0.01 C Shift Assignments>> C :: 174.727 CA :: 63.764 CB :: 42.009 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 :: 9.486 HA :: 3.397 HB2 :: 2.651 HB3 :: 2.601 HD1 :: 6.888 HD2 :: 6.888 HE1 :: 6.157 HE2 :: 6.157 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 :: 118.584 Ave N Shift Values>> N :: 120.69(4.18) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.34 G 0.19 K 0.01 C Shift Assignments>> C :: 173.627 CA :: 61.940 CB :: 33.189 CG :: 26.899 CD :: 31.506 CE :: 43.437 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 :: 7.510 HA :: 3.633 HB2 :: 1.832 HB3 :: 1.832 HG2 :: 1.304 HG3 :: 1.228 HD2 :: 1.552 HD3 :: 1.552 HE2 :: 2.792 HE3 :: 2.792 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 :: 117.327 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 I 0.35 E 0.13 M 0.01 HN Overlap>> 1.M78 1.K48 1.M78 1.K48 C Shift Assignments>> C :: 173.127 CA :: 61.000 CB :: 31.639 CG :: 38.145 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 :: 8.151 HA :: 3.930 HB2 :: 2.169 HB3 :: 1.933 HG2 :: 2.398 HG3 :: 2.398 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.925 Ave N Shift Values>> N :: 120.68(3.68) 1.Y72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 F 0.19 Y 0.16 C 0.15 C Shift Assignments>> C :: 177.227 CA :: 62.068 CB :: 39.522 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 :: 8.454 HA :: 4.047 HB2 :: 2.960 HB3 :: 3.010 HD1 :: 7.024 HD2 :: 7.024 HE1 :: 6.961 HE2 :: 6.961 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 :: 123.271 Ave N Shift Values>> N :: 120.79(4.69) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 174.327 CA :: 62.841 CB :: 64.317 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.990 HA :: 3.245 HB2 :: 3.467 HB3 :: 3.220 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 :: 115.432 Ave N Shift Values>> N :: 116.3(3.95) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 HN Overlap>> 1.A8 1.A8 C Shift Assignments>> C :: 174.427 CA :: 68.677 CB :: 33.164 CG1 :: 24.939 CG2 :: 22.859 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 :: 8.112 HA :: 3.375 HB :: 2.043 HG11 :: 0.866 HG12 :: 0.866 HG13 :: 0.866 HG21 :: 0.798 HG22 :: 0.798 HG23 :: 0.798 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 :: 123.807 Ave N Shift Values>> N :: 121.02(4.96) 1.F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.14 F 0.13 Y 0.07 C Shift Assignments>> C :: 174.627 CA :: 64.444 CB :: 40.823 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 :: 8.149 HA :: 3.878 HB2 :: 3.064 HB3 :: 2.975 HD1 :: 7.017 HD2 :: 7.017 HE1 :: 6.939 HE2 :: 6.939 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 :: 122.351 Ave N Shift Values>> N :: 120.69(4.18) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.37 L 0.13 G 0.06 K 0.04 C Shift Assignments>> C :: 173.327 CA :: 59.810 CB :: 42.994 CG :: 28.530 CD1 :: 26.919 CD2 :: 24.445 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 :: 8.141 HA :: 3.648 HB2 :: 1.147 HB3 :: 1.562 HG :: 1.364 HD11 :: 0.520 HD12 :: 0.520 HD13 :: 0.520 HD21 :: 0.300 HD22 :: 0.300 HD23 :: 0.300 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 :: 116.801 Ave N Shift Values>> N :: 121.98(4.07) 1.T77 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.427 CA :: 69.876(A) CB :: 71.163 CG2 :: 23.181 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 :: 8.005 HA :: 3.561 HB :: 4.186 HG1 :: 4.896 HG21 :: 1.034 HG22 :: 1.034 HG23 :: 1.034 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.415 Ave N Shift Values>> N :: 115.7(5.05) 1.M78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 M 0.2 Q 0.04 E 0.04 HN Overlap>> 1.E71 1.E71 C Shift Assignments>> C :: 172.927 CA :: 60.751 CB :: 33.255 CG :: 33.441 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 :: 8.059 HA :: 3.771 HB2 :: 2.551 HB3 :: 2.342 HG2 :: 1.909 HG3 :: 1.720 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.960 Ave N Shift Values>> N :: 120.1(3.88) 1.L79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.37 R 0.31 L 0.21 G 0.06 K 0.02 C Shift Assignments>> C :: 174.527 CA :: 59.756 CB :: 42.961 CG :: 27.919 CD1 :: 26.962 CD2 :: 24.456 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 :: 8.007 HA :: 3.646 HB2 :: 1.704 HB3 :: 1.372 HG :: 0.348(S) HD11 :: 0.657 HD12 :: 0.657 HD13 :: 0.657 HD21 :: 0.552 HD22 :: 0.552 HD23 :: 0.552 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 :: 120.772 Ave N Shift Values>> N :: 121.98(4.07) 1.C80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 P 0.41 C 0.07 V 0.03 C Shift Assignments>> C :: 176.127 CA :: 64.083 CB :: 28.199 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.268 HA :: 3.344 HB2 :: 2.949 HB3 :: 2.746 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.257 Ave N Shift Values>> N :: 119.95(4.79) 1.M81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 M 0.21 I 0.01 C Shift Assignments>> C :: 176.227 CA :: 60.091 CB :: 34.090 CG :: 34.509 CE :: 17.616 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.600 HA :: 3.242 HB2 :: 1.509 HB3 :: 1.509 HG2 :: 2.235 HG3 :: 2.235 HE1 :: 1.695 HE2 :: 1.695 HE3 :: 1.695 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 :: 114.515 Ave N Shift Values>> N :: 120.1(3.88) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 A 0.34 L 0.11 C 0.08 V 0.03 T 0.01 C Shift Assignments>> C :: 173.827 CA :: 54.930 CB :: 20.641 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.299 HA :: 4.121 HB1 :: 1.214 HB2 :: 1.214 HB3 :: 1.214 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.977 Ave N Shift Values>> N :: 123.23(3.7) 1.Y83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 K 0.18 Y 0.16 C 0.15 I 0.08 R 0.08 L 0.07 D 0.02 C Shift Assignments>> CA :: 59.333 CB :: 41.599 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 :: 7.623 HA :: 4.771 HB2 :: 3.074 HB3 :: 2.733 HD1 :: 6.907 HD2 :: 6.907 HE1 :: 6.532 HE2 :: 6.532 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 :: 113.311 Ave N Shift Values>> N :: 120.79(4.69) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.21 K 0.21 R 0.12 D 0.12 C 0.1 F 0.1 Y 0.07 N 0.01 C Shift Assignments>> CA :: 56.126 CB :: 41.990 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>> HA :: 4.534 HB2 :: 2.851 HB3 :: 2.851 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) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 R 0.18 F 0.15 C 0.13 L 0.13 Y 0.11 I 0.03 D 0.03 C Shift Assignments>> CA :: 58.457 CB :: 42.260 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 :: 8.681 HA :: 4.086 HB2 :: 2.572 HB3 :: 2.572 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 :: 126.079 Ave N Shift Values>> N :: 120.73(4.2) 1.F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 F 0.21 C 0.19 Y 0.12 K 0.03 R 0.02 G 0.01 C Shift Assignments>> C :: 176.827 CA :: 62.903 CB :: 41.596 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 :: 8.672 HA :: 3.744 HB2 :: 2.736 HB3 :: 2.736 HD1 :: 5.614 HD2 :: 5.614 HE1 :: 6.158 HE2 :: 6.158 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 :: 121.950 Ave N Shift Values>> N :: 120.69(4.18) 1.F87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.19 I 0.19 C 0.17 K 0.09 L 0.03 R 0.02 C Shift Assignments>> C :: 176.927 CA :: 60.422 CB :: 41.081 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.225 HA :: 3.836 HB2 :: 3.278 HB3 :: 2.818 HD1 :: 7.263 HD2 :: 7.263 HE1 :: 6.781 HE2 :: 6.781 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 :: 110.928 Ave N Shift Values>> N :: 120.69(4.18) 1.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 R 0.25 L 0.23 G 0.19 C Shift Assignments>> C :: 175.027 CA :: 56.962 CB :: 44.199 CG :: 28.383 CD1 :: 26.499 CD2 :: 24.657 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 :: 7.130 HA :: 4.169 HB2 :: 1.509 HB3 :: 1.417 HG :: 1.495 HD11 :: 0.732 HD12 :: 0.732 HD13 :: 0.732 HD21 :: 0.692 HD22 :: 0.692 HD23 :: 0.692 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.732 Ave N Shift Values>> N :: 121.98(4.07) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 E 0.22 I 0.08 M 0.07 C Shift Assignments>> C :: 176.427 CA :: 58.216 CB :: 32.309 CG :: 38.005 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 :: 8.097 HA :: 4.087 HB2 :: 1.749 HB3 :: 1.832 HG2 :: 2.045 HG3 :: 2.045 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 :: 121.626 Ave N Shift Values>> N :: 120.68(3.68) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 R 0.24 K 0.13 C 0.1 D 0.09 F 0.06 Y 0.04 G 0.02 C Shift Assignments>> C :: 176.527 CA :: 55.815 CB :: 42.874 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 :: 8.243 HA :: 4.425 HB2 :: 2.534 HB3 :: 2.420 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 :: 121.280 Ave N Shift Values>> N :: 120.73(4.2) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.15 C 0.13 F 0.12 N 0.11 Y 0.11 K 0.08 R 0.01 C Shift Assignments>> C :: 178.127 CA :: 54.928 CB :: 40.529 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 :: 8.267 HA :: 4.563 HB2 :: 2.666 HB3 :: 2.595 HD21 :: 7.446 HD22 :: 6.759 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.209 ND2 :: 112.882 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.38 G 0.14 K 0.03 M 0.01 C Shift Assignments>> CA :: 59.483 CB :: 35.241 CG :: 26.311 CD :: 30.652 CE :: 43.826 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 :: 7.734 HA :: 4.000 HB2 :: 1.679 HB3 :: 1.591 HG2 :: 1.236 HG3 :: 1.236 HD2 :: 1.523 HD3 :: 1.523 HE2 :: 2.852 HE3 :: 2.852 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 :: 126.274 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 84 #Clerical: 0 #Suspicious: 2 #Anomalous: 5 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 91 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 92 #Suspicious: 0 C Shift Results: #Consistent: 385 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 6 H Shift Results: #Consistent: 675 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 92 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P4 CA = 68.211(A), Expected = 63.30, Std = 1.6400, ChiSquare = 2.7488e-03 1.T10 CA = 69.282(A), Expected = 62.15, Std = 2.7200, ChiSquare = 8.7400e-03 1.M12 CA = 62.750(A), Expected = 56.16, Std = 2.3400, ChiSquare = 4.8589e-03 1.T15 CA = 69.609(A), Expected = 62.15, Std = 2.7200, ChiSquare = 6.1014e-03 1.T28 CB = 75.348(S), Expected = 69.64, Std = 1.7000, ChiSquare = 7.8609e-04 1.L37 Typing: Mistyped 1.L37 CD2 = 30.234(A), Expected = 24.10, Std = 1.7800, ChiSquare = 5.6881e-04 1.T77 CA = 69.876(A), Expected = 62.15, Std = 2.7200, ChiSquare = 4.5051e-03 1.L79 HG = 0.348(S), Expected = 1.54, Std = 0.3300, ChiSquare = 3.0370e-04