M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.88 M 0.06 A 0.04 C Shift Assignments>> C :: 174.84 CA :: 57.679 CB :: 36.993 CG :: 34.779 CE :: 20.995 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 :: 3.875 HB2 :: 2.19 HB3 :: 2.36 HG2 :: 2.197 HG3 :: 2.197 HE :: 1.888 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) S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 S 0.26 C Shift Assignments>> C :: 177.97 CA :: 59.252 CB :: 67.289 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.831 HA :: 4.403 HB2 :: 3.539 HB3 :: 3.539 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 :: 119.66 Ave N Shift Values>> N :: 116.3(3.95) I3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 V 0.31 I 0.19 C Shift Assignments>> C :: 179.13 CA :: 65.522 CB :: 40.371 CG1 :: 31.985 CG2 :: 20.942 CD1 :: 16.025 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 :: 8.496 HA :: 3.499 HB :: 1.159 HG2 :: 0.839 HG12 :: 1.097 HG13 :: 0.841 HD1 :: 0.181 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 :: 125.5 Ave N Shift Values>> N :: 121.6(4.72) T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.63 C 0.36 C Shift Assignments>> C :: 177.51 CA :: 64.965 CB :: 70.175 CG2 :: 24.907 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 :: 7.226 HA :: 4.59 HB :: 4.395 HG2 :: 1.044 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 :: 109.81 Ave N Shift Values>> N :: 115.7(5.05) D5 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 G 0.38 D 0.01 C Shift Assignments>> C :: 178.99 CA :: 58.311 CB :: 43.628 CG :: 182.72(M) 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 :: 7.677 HA :: 4.51 HB2 :: 2.724 HB3 :: 2.661 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 :: 119.44 Ave N Shift Values>> N :: 120.73(4.2) V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.46 I 0.01 HN Overlap>> F50 C Shift Assignments>> C :: 177.24 CA :: 65.591 CB :: 36.441 CG1 :: 24.284 CG2 :: 23.111 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 :: 7.349 HA :: 4.022 HB :: 1.919 HG1 :: 0.802 HG2 :: 0.796 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 :: 116.33 Ave N Shift Values>> N :: 121.02(4.96) L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 G 0.36 R 0.02 M 0.01 L 0.01 C Shift Assignments>> C :: 177.92 CA :: 55.375 CB :: 46.491 CG :: 29.645 CD1 :: 28.255 CD2 :: 24.926 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 :: 7.649 HA :: 4.432 HB2 :: 1.434 HB3 :: 1.51 HG :: 1.512 HD1 :: 0.887 HD2 :: 0.887 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 :: 118.93 Ave N Shift Values>> N :: 121.98(4.07) S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.84 T 0.15 C Shift Assignments>> C :: 179.26 CA :: 59.051 CB :: 66.126 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.377 HA :: 4.417 HB2 :: 3.896 HB3 :: 3.775 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 :: 113.59 Ave N Shift Values>> N :: 116.3(3.95) A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.32 V 0.22 T 0.19 C 0.1 L 0.08 A 0.03 I 0.02 C Shift Assignments>> C :: 182.57 CA :: 57.857 CB :: 20.825 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.122 HA :: 3.841 HB :: 1.35 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.06 Ave N Shift Values>> N :: 123.23(3.7) D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 G 0.13 D 0.04 C Shift Assignments>> C :: 181.16 CA :: 60.113 CB :: 42.601 CG :: 180.88 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 :: 8.112 HA :: 4.276 HB2 :: 2.283 HB3 :: 2.283 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 :: 117.68 Ave N Shift Values>> N :: 120.73(4.2) D11 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 G 0.12 D 0.03 C Shift Assignments>> C :: 181 CA :: 59.481 CB :: 42.63 CG :: 181.68(M) 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 :: 7.139 HA :: 4.248 HB2 :: 2.498 HB3 :: 2.514 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 :: 123.31 Ave N Shift Values>> N :: 120.73(4.2) I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.1 G 0.04 I 0.03 C Shift Assignments>> C :: 179.54 CA :: 68.6 CB :: 40.972 CG1 :: 32.169 CG2 :: 20.882 CD1 :: 16.96 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 :: 7.96 HA :: 3.025 HB :: 1.765 HG2 :: 0.718 HG12 :: 0.742 HG13 :: 0.714 HD1 :: 0.796 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 :: 120.26 Ave N Shift Values>> N :: 121.6(4.72) A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 V 0.18 T 0.14 C 0.09 I 0.06 A 0.05 L 0.04 C Shift Assignments>> C :: 183.36 CA :: 57.74 CB :: 20.217 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.9 HA :: 3.868 HB :: 1.341 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.42 Ave N Shift Values>> N :: 123.23(3.7) A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 V 0.15 T 0.11 C 0.09 A 0.07 L 0.06 I 0.03 C Shift Assignments>> C :: 182.56 CA :: 57.3 CB :: 20.417 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.577 HA :: 3.879 HB :: 1.275 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.88 Ave N Shift Values>> N :: 123.23(3.7) A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 V 0.13 C 0.1 L 0.1 T 0.09 A 0.09 I 0.02 C Shift Assignments>> C :: 182.99 CA :: 56.858 CB :: 20.675 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8 HA :: 3.727 HB :: 0.718 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.23 Ave N Shift Values>> N :: 123.23(3.7) L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.36 G 0.12 L 0.09 K 0.03 C Shift Assignments>> C :: 183.08 CA :: 59.229 CB :: 43.589 CG :: 28.616 CD1 :: 27.522 CD2 :: 23.939 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 :: 8.363 HA :: 4.034 HB2 :: 1.793 HB3 :: 1.323 HG :: 1.005 HD1 :: 0.903 HD2 :: 0.903 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 :: 118.66 Ave N Shift Values>> N :: 121.98(4.07) Q17 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 C 0.48 C Shift Assignments>> C :: 181.14 CA :: 61.054 CB :: 30.37 CG :: 35.894 CD :: 182.41(M) 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 :: 8.1 HA :: 3.898 HB2 :: 1.718 HB3 :: 1.718 HG2 :: 2.272 HG3 :: 2.272 HE21 :: 6.669 HE22 :: 7.332 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 :: 120.96 NE2 :: 111.65 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E18 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 E 0.06 C Shift Assignments>> C :: 179.18 CA :: 60.277 CB :: 32.595 CG :: 38.631 CD :: 185.19(M) 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 :: 7.31 HA :: 4.04 HB2 :: 1.909 HB3 :: 2.071 HG2 :: 2.16 HG3 :: 2.16 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 :: 115.9 Ave N Shift Values>> N :: 120.68(3.68) C19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.16 R 0.16 H 0.16 C 0.14 Q 0.14 K 0.09 M 0.07 I 0.02 V 0.01 C Shift Assignments>> C :: 176.88 CA :: 57.167 CB :: 30.212 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.229 HA :: 5.517 HB2 :: 3.051 HB3 :: 2.668 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 :: 112.32 Ave N Shift Values>> N :: 119.95(4.79) R20 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 C 0.35 R 0.01 C Shift Assignments>> C :: 179.88 CA :: 61.76 CB :: 32.73 CG :: 28.633 CD :: 45.72(M) 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 :: 6.901 HA :: 3.979 HB2 :: 1.663 HB3 :: 1.853 HG2 :: 1.559 HG3 :: 1.559 HD2 :: 3.06 HD3 :: 3.06 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 :: 123.85 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D21 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 D 0.43 G 0.01 C Shift Assignments>> C :: 176.56 CA :: 55.111 CB :: 41.681 CG :: 181.59(M) 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 :: 8.172 HA :: 4.789 HB2 :: 2.341 HB3 :: 2.407 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 :: 118.45 Ave N Shift Values>> N :: 120.73(4.2) P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 S 0.01 C Shift Assignments>> C :: 177.79 CA :: 66.53 CB :: 34.067 CG :: 30.249 CD :: 52.803 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 :: 3.768 HB2 :: 1.615 HB3 :: 2.143 HG2 :: 2.04 HG3 :: 1.854 HD2 :: 3.495 HD3 :: 3.792 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) N Shift Assignments>> N :: 136.45 Ave N Shift Values>> N :: 127.4(10.05) D23 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 E 0.01 C Shift Assignments>> C :: 178.38 CA :: 60.762(M) CB :: 40.602 CG :: 183.92(M) 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 :: 7.107 HA :: 4.301 HB2 :: 2.823 HB3 :: 2.777 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.49 Ave N Shift Values>> N :: 120.73(4.2) T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.55 C 0.44 C Shift Assignments>> C :: 178.29 CA :: 64.516 CB :: 73.128 CG2 :: 23.862 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 :: 7.093 HA :: 4.416 HB :: 4.309 HG2 :: 0.914 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 :: 104.2 Ave N Shift Values>> N :: 115.7(5.05) F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.76 C 0.22 G 0.01 C Shift Assignments>> C :: 176.66 CA :: 61.76 CB :: 41.868 CG :: 138.41 CD1 :: 132.1 CD2 :: 132.1 CE1 :: 130.55 CE2 :: 130.55 CZ :: 127.64 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 :: 8.874 HA :: 4.191 HB2 :: 2.673 HB3 :: 2.72 HD1 :: 6.985 HD2 :: 6.985 HE1 :: 6.307 HE2 :: 6.307 HZ :: 6.047 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.26 Ave N Shift Values>> N :: 120.69(4.18) E26 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 176.02 CA :: 54.87 CB :: 34.526 CG :: 38.612 CD :: 186(M) 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 :: 7.724 HA :: 4.333 HB2 :: 1.485 HB3 :: 1.757 HG2 :: 1.902 HG3 :: 1.952 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 :: 130.06 Ave N Shift Values>> N :: 120.68(3.68) P27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 177.73 CA :: 67.969 CB :: 34.181 CG :: 29.16 CD :: 52.793 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 :: 2.779(S) HB2 :: 2.06 HB3 :: 2.06 HG2 :: 1.502 HG3 :: 1.785 HD2 :: 3.105 HD3 :: 3.559 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) N Shift Assignments>> N :: 139.9 Ave N Shift Values>> N :: 127.4(10.05) Q28 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.45 C Shift Assignments>> C :: 181.14 CA :: 62.059(M) CB :: 29.982 CG :: 36.458 CD :: 182.77(M) 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 :: 8.264 HA :: 3.707 HB2 :: 1.779 HB3 :: 1.779 HG2 :: 2.195 HG3 :: 2.27 HE21 :: 6.719 HE22 :: 7.568 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 :: 113.58 NE2 :: 112.75 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 G 0.31 R 0.26 C Shift Assignments>> C :: 179.82 CA :: 61.279 CB :: 34.811 CG :: 26.887 CD :: 31.673 CE :: 44.15 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 :: 6.768 HA :: 3.78 HB2 :: 1.557 HB3 :: 1.631 HG2 :: 1.215 HG3 :: 1.215 HD2 :: 1.414 HD3 :: 1.414 HE2 :: 2.844 HE3 :: 2.702 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 :: 118.66 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F30 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.15 G 0.09 C Shift Assignments>> C :: 182.93(M) CA :: 64.203 CB :: 42.413 CG :: 139.25 CD1 :: 130.57 CD2 :: 130.57 CE1 :: 131.38 CE2 :: 131.38 CZ :: 128.62 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 :: 7.576 HA :: 4.102 HB2 :: 2.308 HB3 :: 2.308 HD1 :: 6.788 HD2 :: 6.788 HE1 :: 6.4 HE2 :: 6.4 HZ :: 5.589 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 :: 119.18 Ave N Shift Values>> N :: 120.69(4.18) F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.28 C Shift Assignments>> C :: 179.48 CA :: 61.631 CB :: 39.134 CG :: 139 CD1 :: 132.27 CD2 :: 132.27 CE1 :: 130.63 CE2 :: 130.63 CZ :: 128.81 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 :: 8.756 HA :: 4.203 HB2 :: 3.118 HB3 :: 3.118 HD1 :: 7.152 HD2 :: 7.152 HE1 :: 7.077 HE2 :: 7.077 HZ :: 6.836 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 :: 119.83 Ave N Shift Values>> N :: 120.69(4.18) Q32 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 C 0.49 C Shift Assignments>> C :: 181.77 CA :: 60.771 CB :: 30.814 CG :: 36.117 CD :: 182.69(M) 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 :: 7.717 HA :: 4.154 HB2 :: 2.067 HB3 :: 2.018 HG2 :: 2.247 HG3 :: 2.304 HE21 :: 6.631 HE22 :: 7.411 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 :: 119.26 NE2 :: 111.89 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.64 C 0.35 C Shift Assignments>> C :: 178.25 CA :: 68.638 CB :: 70.286 CG2 :: 25.315 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 :: 9.155 HA :: 3.53 HB :: 3.557 HG2 :: 0.702 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.98 Ave N Shift Values>> N :: 115.7(5.05) S34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.73 S 0.26 C Shift Assignments>> C :: 175.74 CA :: 63.512 CB :: 65.87 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.809 HA :: 3.266 HB2 :: 3.299 HB3 :: 2.59(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 :: 110.33 Ave N Shift Values>> N :: 116.3(3.95) G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 C 0.24 P 0.04 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 178.03 CA :: 47.518 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.877 HA2 :: 4.241 HA3 :: 3.708 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.38 Ave N Shift Values>> N :: 109.91(4.29) L36 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.58 C 0.32 R 0.09 C Shift Assignments>> C :: 180.5 CA :: 60.797 CB :: 45.243 CG :: 30.334 CD1 :: 28.347 CD2 :: 28.224 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 :: 7.887 HA :: 3.938 HB2 :: 1.73 HB3 :: 1.466 HG :: 1.888 HD1 :: 1.707(S) HD2 :: 1.115 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 :: 124.53 Ave N Shift Values>> N :: 121.98(4.07) S37 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 :: 177.16 CA :: 63.234 CB :: 65.787 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.892 HA :: 3.873 HB2 :: 3.91 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 :: 109.24 Ave N Shift Values>> N :: 116.3(3.95) K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.34 G 0.21 M 0.01 C Shift Assignments>> C :: 179.41 CA :: 58.004 CB :: 35.394 CG :: 27.26 CD :: 31.54 CE :: 44.373 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 :: 7.009 HA :: 4.287 HB2 :: 1.813 HB3 :: 1.613 HG2 :: 1.276 HG3 :: 1.276 HD2 :: 1.423 HD3 :: 1.504 HE2 :: 2.636 HE3 :: 2.581 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 :: 118.42 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 A 0.05 M 0.05 C Shift Assignments>> C :: 178.92 CA :: 57.968 CB :: 35.834 CG :: 35.738 CE :: 19.114 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 :: 7.181 HA :: 4.363 HB2 :: 2.481 HB3 :: 2.611 HG2 :: 1.965 HG3 :: 2.036 HE :: 1.717 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 :: 119.22 Ave N Shift Values>> N :: 120.1(3.88) S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 S 0.15 HN Overlap>> E61 C Shift Assignments>> C :: 177.33 CA :: 60.078 CB :: 67.389 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.762 HA :: 4.325 HB2 :: 3.899 HB3 :: 4.178 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 :: 117.69 Ave N Shift Values>> N :: 116.3(3.95) A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 V 0.21 T 0.15 C 0.08 I 0.07 A 0.03 L 0.03 C Shift Assignments>> C :: 182.62 CA :: 58.038 CB :: 20.144 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.791 HA :: 3.739 HB :: 1.237 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.86 Ave N Shift Values>> N :: 123.23(3.7) N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 D 0.26 E 0.02 N 0.01 C Shift Assignments>> C :: 179.99 CA :: 58.583 CB :: 39.896 CG :: 178.92 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 :: 8.432 HA :: 4.187 HB2 :: 2.648 HB3 :: 2.534 HD21 :: 6.856 HD22 :: 7.525 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 :: 115.17 ND2 :: 113.26 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Q43 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 E 0.36 C Shift Assignments>> C :: 181.07 CA :: 61.276 CB :: 31.756 CG :: 37.538(S) CD :: 182.48(M) 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 :: 7.371 HA :: 4.129 HB2 :: 2.31 HB3 :: 2.218 HG2 :: 2.322 HG3 :: 2.322 HE21 :: 6.83 HE22 :: 7.631 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 :: 120.05 NE2 :: 113.04 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V44 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 V 0.03 C Shift Assignments>> C :: 180.51 CA :: 69.808(M) CB :: 33.732 CG1 :: 27.133(M) CG2 :: 25.105 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 :: 8.305 HA :: 3.358 HB :: 1.977 HG1 :: 0.752 HG2 :: 0.79 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.88 Ave N Shift Values>> N :: 121.02(4.96) K45 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 C 0.36 R 0.18 C Shift Assignments>> C :: 180.86 CA :: 62.073 CB :: 34.447 CG :: 27.897 CD :: 31.276 CE :: 44.311 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 :: 7.776 HA :: 3.909 HB2 :: 1.671 HB3 :: 1.82 HG2 :: 1.453 HG3 :: 1.32 HD2 :: 1.467 HD3 :: 1.467 HE2 :: 2.826 HE3 :: 2.698 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 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D46 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 D 0.04 G 0.03 C Shift Assignments>> C :: 180.8 CA :: 59.396 CB :: 41.927 CG :: 181.98(M) 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 :: 7.403 HA :: 4.147 HB2 :: 2.939 HB3 :: 2.939 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 :: 119.92 Ave N Shift Values>> N :: 120.73(4.2) V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 179.66 CA :: 69.434 CB :: 33.543 CG1 :: 25.92 CG2 :: 23.691 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 :: 7.611 HA :: 3.465 HB :: 2.361 HG1 :: 0.941 HG2 :: 0.916 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 :: 120.16 Ave N Shift Values>> N :: 121.02(4.96) F48 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.84 C 0.14 C Shift Assignments>> C :: 178.84 CA :: 64.549 CB :: 41.003 CG :: 137.83 CD1 :: 131.2 CD2 :: 131.2 CE1 :: 132 CE2 :: 132 CZ :: 129.7 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 :: 8.431 HA :: 2.969 HB2 :: 2.655 HB3 :: 3.27 HD1 :: 6.37 HD2 :: 6.37 HE1 :: 6.681 HE2 :: 6.681 HZ :: 6.929 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 :: 120.7 Ave N Shift Values>> N :: 120.69(4.18) SRO Rule Breaks>> (HA > HB3 : 0.9955) R49 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 C 0.41 C Shift Assignments>> C :: 180.6 CA :: 61.357 CB :: 32.426 CG :: 30.477 CD :: 45.877(M) 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 :: 7.653 HA :: 3.728 HB2 :: 1.703 HB3 :: 1.623 HG2 :: 1.546 HG3 :: 1.79 HD2 :: 3.054 HD3 :: 3.054 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 :: 115.53 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.78 C 0.21 HN Overlap>> V6 C Shift Assignments>> C :: 179.35 CA :: 61.974 CB :: 41.423 CG :: 139.01 CD1 :: 131.87 CD2 :: 131.87 CE1 :: 131.2 CE2 :: 131.2 CZ :: 129.72 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 :: 7.303 HA :: 4.1 HB2 :: 2.886 HB3 :: 2.886 HD1 :: 7.006 HD2 :: 7.006 HE1 :: 7.028 HE2 :: 7.028 HZ :: 6.851 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 :: 116.23 Ave N Shift Values>> N :: 120.69(4.18) I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 I 0.28 V 0.09 C Shift Assignments>> C :: 178.73 CA :: 64.463 CB :: 39.308 CG1 :: 29.859 CG2 :: 21.79 CD1 :: 15.825 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 :: 7.195 HA :: 3.355 HB :: 1.287 HG2 :: 0.679 HG12 :: 1.332 HG13 :: 1.332 HD1 :: 0.321 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 :: 116.98 Ave N Shift Values>> N :: 121.6(4.72) D52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.59 C 0.38 N 0.01 C Shift Assignments>> C :: 178.64 CA :: 54.792 CB :: 40.647 CG :: 180.5 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 :: 7.101 HA :: 3.936 HB2 :: 1.725(S) HB3 :: 1.25(S) 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 :: 118.78 Ave N Shift Values>> N :: 120.73(4.2) N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 G 0.28 D 0.09 C Shift Assignments>> C :: 178.22 CA :: 59.277 CB :: 43.329 CG :: 177.96 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 :: 7.537 HA :: 3.828 HB2 :: 2.465 HB3 :: 2.621 HD21 :: 6.712 HD22 :: 7.808 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 :: 125.8 ND2 :: 115.14 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D54 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 D 0.08 G 0.04 C Shift Assignments>> C :: 178.71 CA :: 54.997 CB :: 42.065 CG :: 183.47(M) 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 :: 7.826 HA :: 4.397 HB2 :: 2.89 HB3 :: 2.89 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 :: 113.83 Ave N Shift Values>> N :: 120.73(4.2) Q55 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 E 0.44 C Shift Assignments>> C :: 178.32 CA :: 59.38 CB :: 28.445 CG :: 36.663 CD :: 183.54(M) 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 :: 7.938 HA :: 3.577 HB2 :: 2.038 HB3 :: 1.972 HG2 :: 2.098 HG3 :: 2.07 HE21 :: 6.532 HE22 :: 7.298 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 :: 113.98 NE2 :: 114.44 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 S 0.05 C Shift Assignments>> C :: 178.16 CA :: 61.991 CB :: 67.305 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.26 HA :: 4.062 HB2 :: 3.83 HB3 :: 3.83 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 :: 115.16 Ave N Shift Values>> N :: 116.3(3.95) G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 C 0.19 L 0.03 A 0.01 C Shift Assignments>> C :: 174.3 CA :: 47.079 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.661 HA2 :: 3.241 HA3 :: 4.065 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.42 Ave N Shift Values>> N :: 109.91(4.29) Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 C 0.24 Y 0.21 C Shift Assignments>> C :: 177.21 CA :: 58.165 CB :: 44.666 CG :: 129.74 CD1 :: 134.16 CD2 :: 134.16 CE1 :: 118.01 CE2 :: 118.01 CZ :: 157.79 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 :: 7.474 HA :: 5.216 HB2 :: 2.82 HB3 :: 2.82 HD1 :: 6.66 HD2 :: 6.66 HE1 :: 6.716 HE2 :: 6.716 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 :: 113.47 Ave N Shift Values>> N :: 120.79(4.69) L59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.28 C 0.27 L 0.25 G 0.15 A 0.01 C Shift Assignments>> C :: 178.53 CA :: 55.318 CB :: 43.931 CG :: 28.323 CD1 :: 27.009 CD2 :: 23.552 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 :: 9.94 HA :: 5.201 HB2 :: 1.748 HB3 :: 1.748 HG :: 1.344 HD1 :: 0.333 HD2 :: -0.216(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.51 Ave N Shift Values>> N :: 121.98(4.07) D60 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 C 0.15 C Shift Assignments>> C :: 178.33 CA :: 53.802 CB :: 45.931 CG :: 181.33(M) 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 :: 8.14 HA :: 4.807 HB2 :: 2.392 HB3 :: 3.017 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 :: 123.19 Ave N Shift Values>> N :: 120.73(4.2) E61 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> S40 C Shift Assignments>> C :: 180.74 CA :: 63.51 CB :: 32.084 CG :: 40.174 CD :: 185.38(M) 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 :: 8.733 HA :: 3.478 HB2 :: 1.843 HB3 :: 1.843 HG2 :: 2.018 HG3 :: 2.097 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.78 Ave N Shift Values>> N :: 120.68(3.68) E62 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 E 0.04 C Shift Assignments>> C :: 180.7 CA :: 61.927 CB :: 31.474 CG :: 38.485 CD :: 185.84(M) 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 :: 8.013 HA :: 3.783 HB2 :: 1.961 HB3 :: 1.915 HG2 :: 2.142 HG3 :: 2.142 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 :: 119.98 Ave N Shift Values>> N :: 120.68(3.68) E63 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> L64 C Shift Assignments>> C :: 183.52(M) CA :: 60.842 CB :: 31.614 CG :: 40.092 CD :: 189.46(M) 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 :: 7.965 HA :: 3.988 HB2 :: 1.914 HB3 :: 1.914 HG2 :: 2.192 HG3 :: 2.192 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.19 Ave N Shift Values>> N :: 120.68(3.68) L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 C 0.33 R 0.15 HN Overlap>> E63 C Shift Assignments>> C :: 179.69 CA :: 60.67 CB :: 44.937 CG :: 29.742 CD1 :: 27.929 CD2 :: 26.82 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 :: 7.867 HA :: 3.901 HB2 :: 1.523 HB3 :: 1.475 HG :: 1.367 HD1 :: 0.359 HD2 :: 0.51 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 :: 117.16 Ave N Shift Values>> N :: 121.98(4.07) K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 C 0.38 R 0.19 C Shift Assignments>> C :: 181.09 CA :: 62.14 CB :: 33.983 CG :: 26.666 CD :: 31.64 CE :: 44.147 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 :: 7.041 HA :: 3.499 HB2 :: 1.198 HB3 :: 1.334 HG2 :: 0.51 HG3 :: 1.08 HD2 :: 1.296 HD3 :: 1.296 HE2 :: 2.485 HE3 :: 2.53 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 :: 120.99 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.43 C Shift Assignments>> C :: 177.39 CA :: 59.501 CB :: 40.948 CG :: 139.33 CD1 :: 129.85 CD2 :: 129.85 CE1 :: 131.78 CE2 :: 131.78 CZ :: 130.46 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 :: 6.764 HA :: 4.447 HB2 :: 3.43 HB3 :: 2.515 HD1 :: 7.115 HD2 :: 7.115 HE1 :: 7.211 HE2 :: 7.211 HZ :: 7.165 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 :: 115.68 Ave N Shift Values>> N :: 120.69(4.18) F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 F 0.09 C 0.03 HN Overlap>> E72 C Shift Assignments>> C :: 178.94 CA :: 65.327 CB :: 44.582 CG :: 139.32 CD1 :: 131.93 CD2 :: 131.93 CE1 :: 130.55 CE2 :: 130.55 CZ :: 128.14 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 :: 7.44 HA :: 3.72 HB2 :: 2.407 HB3 :: 3.334 HD1 :: 6.625 HD2 :: 6.625 HE1 :: 6.746 HE2 :: 6.746 HZ :: 7.17 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 :: 119.64 Ave N Shift Values>> N :: 120.69(4.18) L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.38 G 0.1 L 0.06 K 0.05 C Shift Assignments>> C :: 182.73 CA :: 59.85 CB :: 43.322 CG :: 28.612 CD1 :: 27.826 CD2 :: 24.529 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 :: 8.449 HA :: 3.733 HB2 :: 1.83 HB3 :: 1.107 HG :: 0.64 HD1 :: 0.56 HD2 :: 1.158 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 :: 112.11 Ave N Shift Values>> N :: 121.98(4.07) Q69 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 C 0.47 C Shift Assignments>> C :: 180.22 CA :: 58.784 CB :: 29.526 CG :: 36.997 CD :: 182.38(M) 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 :: 7.159 HA :: 4.452 HB2 :: 1.958 HB3 :: 1.958 HG2 :: 1.886 HG3 :: 1.782 HE21 :: 6.929 HE22 :: 7.068 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 :: 116.23 NE2 :: 107.86 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 G 0.34 R 0.2 M 0.01 K 0.01 HN Overlap>> H108 C Shift Assignments>> C :: 178.49 CA :: 57.552 CB :: 32.556 CG :: 26.288 CD :: 29.596 CE :: 44.937 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 :: 7.161 HA :: 3.782 HB2 :: 1.459 HB3 :: 1.054 HG2 :: 1.043 HG3 :: 1.351 HD2 :: 0.976 HD3 :: 1.187 HE2 :: 2.612 HE3 :: 2.716 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 :: 115.72 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.25 C Shift Assignments>> C :: 177.76 CA :: 62.39 CB :: 41.082 CG :: 139.79 CD1 :: 132.15 CD2 :: 132.15 CE1 :: 131.24 CE2 :: 131.24 CZ :: 128.14 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 :: 7.465 HA :: 4.032 HB2 :: 3.097 HB3 :: 3.097 HD1 :: 7.143 HD2 :: 7.143 HE1 :: 6.376 HE2 :: 6.376 HZ :: 6.767 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 :: 116.98 Ave N Shift Values>> N :: 120.69(4.18) E72 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> F67 C Shift Assignments>> C :: 178.25 CA :: 59.766 CB :: 35.647 CG :: 39.37 CD :: 186.13(M) 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 :: 7.489 HA :: 4.099 HB2 :: 1.608 HB3 :: 1.787 HG2 :: 2.06 HG3 :: 2.06 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 :: 119.67 Ave N Shift Values>> N :: 120.68(3.68) S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.55 S 0.44 C Shift Assignments>> C :: 177.81 CA :: 63.9 CB :: 65.336 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.502 HA :: 4.177 HB2 :: 3.671 HB3 :: 3.671 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 :: 121.78 Ave N Shift Values>> N :: 116.3(3.95) G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 C 0.22 L 0.03 P 0.02 A 0.02 C Shift Assignments>> C :: 176.78 CA :: 47.368 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.607 HA2 :: 3.596 HA3 :: 3.966 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.42 Ave N Shift Values>> N :: 109.91(4.29) A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 K 0.19 C 0.12 M 0.08 A 0.02 R 0.02 C Shift Assignments>> C :: 178.55 CA :: 54.26 CB :: 23.505 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.566 HA :: 4.129 HB :: 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 :: 122.42 Ave N Shift Values>> N :: 123.23(3.7) R76 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> G 0.47 C 0.46 R 0.06 C Shift Assignments>> C :: 178.54 CA :: 57.209 CB :: 32.65 CG :: 29.443 CD :: 45.32 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 :: 8.071 HA :: 4.299 HB2 :: 1.66 HB3 :: 1.721 HG2 :: 1.05 HG3 :: 1.05 HD2 :: 2.827 HD3 :: 3.126 HE :: 6.391 HH11 :: 6.058 HH12 :: 10.727(M) HH21 :: 6.187 HH22 :: 9.18(M) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.69 NE :: 84.38 NH1 :: 73.792 NH2 :: 73.894 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E77 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 E 0.03 C Shift Assignments>> C :: 181.15 CA :: 58.77 CB :: 33.267 CG :: 39.144 CD :: 184.93(M) 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 :: 8.132 HA :: 3.956 HB2 :: 1.513 HB3 :: 1.711 HG2 :: 1.865 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 :: 116.93 Ave N Shift Values>> N :: 120.68(3.68) L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.29 G 0.28 L 0.01 K 0.01 C Shift Assignments>> C :: 180.64 CA :: 57.135 CB :: 44.592 CG :: 29.438 CD1 :: 24.749 CD2 :: 28.154 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 :: 8.24 HA :: 4.336 HB2 :: 1.228 HB3 :: 1.543 HG :: 1.256 HD1 :: -0.01 HD2 :: 0.054 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.04 Ave N Shift Values>> N :: 121.98(4.07) T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 T 0.21 C Shift Assignments>> C :: 178.26 CA :: 62.804 CB :: 73.402 CG2 :: 24.302 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 :: 9.675 HA :: 4.149 HB :: 4.646 HG2 :: 0.548 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 :: 114.05 Ave N Shift Values>> N :: 115.7(5.05) E80 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 E 0.01 C Shift Assignments>> C :: 181.27 CA :: 62.142 CB :: 31.623 CG :: 38.874 CD :: 186.27(M) 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 :: 8.911 HA :: 3.961 HB2 :: 1.836 HB3 :: 1.836 HG2 :: 2.065 HG3 :: 2.065 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 :: 121.81 Ave N Shift Values>> N :: 120.68(3.68) S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.7 T 0.29 C Shift Assignments>> C :: 179.44 CA :: 64.077 CB :: 64.737 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.296 HA :: 4.016 HB2 :: 3.769 HB3 :: 3.712 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 :: 114 Ave N Shift Values>> N :: 116.3(3.95) E82 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 182.17(M) CA :: 61.212 CB :: 33.278 CG :: 40.602 CD :: 185.5(M) 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 :: 7.699 HA :: 3.894 HB2 :: 1.986 HB3 :: 1.802 HG2 :: 2.327 HG3 :: 2.327 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 :: 125.04 Ave N Shift Values>> N :: 120.68(3.68) T83 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 179.32 CA :: 69.571(M) CB :: 70.192 CG2 :: 24.569 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 :: 8.709 HA :: 3.462 HB :: 3.997 HG2 :: -0.107(S) 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 :: 114.82 Ave N Shift Values>> N :: 115.7(5.05) K84 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 C 0.36 R 0.17 C Shift Assignments>> C :: 182.3(M) CA :: 61.807 CB :: 33.984 CG :: 27.698 CD :: 31.396 CE :: 44.483 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 :: 8.021 HA :: 3.778 HB2 :: 1.728 HB3 :: 1.728 HG2 :: 1.254 HG3 :: 1.254 HD2 :: 1.506 HD3 :: 1.506 HE2 :: 2.79 HE3 :: 2.79 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 :: 122.07 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.61 T 0.38 C Shift Assignments>> C :: 180.05 CA :: 63.953 CB :: 64.976 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.842 HA :: 4.096 HB3 :: 3.821 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 :: 116.04 Ave N Shift Values>> N :: 116.3(3.95) L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.36 G 0.15 L 0.08 K 0.01 C Shift Assignments>> C :: 180.74 CA :: 58.539 CB :: 43.859 CG :: 28.791 CD1 :: 26.906 CD2 :: 25.997 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 :: 7.739 HA :: 3.798 HB2 :: 1.014 HB3 :: 1.014 HG :: 1.792 HD1 :: 0.7 HD2 :: 0.741 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 :: 123.08 Ave N Shift Values>> N :: 121.98(4.07) M87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 M 0.29 I 0.01 HN Overlap>> Q104 C Shift Assignments>> C :: 180.3 CA :: 60.075 CB :: 33.428 CG :: 33.86 CE :: 19.101 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 :: 7.832 HA :: 4.04 HB2 :: 2.102 HB3 :: 2.238 HG2 :: 2.431 HG3 :: 2.431 HE :: 1.925 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.3 Ave N Shift Values>> N :: 120.1(3.88) A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 L 0.19 V 0.12 C 0.12 T 0.1 A 0.07 K 0.01 C Shift Assignments>> C :: 182.3 CA :: 56.692 CB :: 21.302 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.067 HA :: 3.942 HB :: 1.267 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.88 Ave N Shift Values>> N :: 123.23(3.7) A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 L 0.16 A 0.14 C 0.1 V 0.08 T 0.06 C Shift Assignments>> C :: 180.87 CA :: 56.123 CB :: 21.002 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.407 HA :: 3.999 HB :: 1.342 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.81 Ave N Shift Values>> N :: 123.23(3.7) A90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 K 0.27 C 0.12 R 0.11 Q 0.03 H 0.02 M 0.02 I 0.01 C Shift Assignments>> C :: 181.11 CA :: 54.871 CB :: 25.083(S) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.455 HA :: 4.425 HB :: 1.356 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.8 Ave N Shift Values>> N :: 123.23(3.7) D91 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 D 0.23 G 0.01 C Shift Assignments>> C :: 179.1 CA :: 56.598 CB :: 41.743 CG :: 181.97(M) 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 :: 8.237 HA :: 4.528 HB2 :: 2.3 HB3 :: 2.3 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 :: 116.24 Ave N Shift Values>> N :: 120.73(4.2) N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 D 0.42 G 0.03 N 0.02 C Shift Assignments>> C :: 178.99 CA :: 57.543 CB :: 42.263 CG :: 178.09 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 :: 8.393 HA :: 4.396 HB2 :: 2.688 HB3 :: 2.688 HD21 :: 6.667 HD22 :: 7.58 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 :: 126.76 ND2 :: 113.27 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D93 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 D 0.21 G 0.04 C Shift Assignments>> C :: 180.49 CA :: 55.426 CB :: 42.111 CG :: 182.47(M) 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 :: 8.125 HA :: 4.465 HB2 :: 2.468 HB3 :: 2.468 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 :: 115.57 Ave N Shift Values>> N :: 120.73(4.2) G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.72 A 0.11 N 0.06 C 0.02 D 0.02 C Shift Assignments>> C :: 177.47 CA :: 49.833 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.428 HA2 :: 3.656 HA3 :: 3.71 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.59 Ave N Shift Values>> N :: 109.91(4.29) D95 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 G 0.11 D 0.02 C Shift Assignments>> C :: 179.97 CA :: 55.728 CB :: 42.589 CG :: 183.94(M) 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 :: 8.194 HA :: 4.304 HB2 :: 2.263 HB3 :: 2.719 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 :: 120.21 Ave N Shift Values>> N :: 120.73(4.2) G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.41 C 0.19 G 0.16 A 0.12 N 0.05 D 0.02 C Shift Assignments>> C :: 175.34 CA :: 48.422 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.052 HA2 :: 3.356 HA3 :: 3.767 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.11 Ave N Shift Values>> N :: 109.91(4.29) K97 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 R 0.38 G 0.21 C Shift Assignments>> C :: 178.05 CA :: 56.461 CB :: 38.703 CG :: 26.482 CD :: 31.104 CE :: 44.28 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 :: 7.683 HA :: 4.65 HB2 :: 1.354 HB3 :: 1.354 HG2 :: 1.237 HG3 :: 1.289 HD2 :: 0.713(S) HD3 :: 0.821 HE2 :: 2.13(S) HE3 :: 2.13(S) 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 :: 116.67 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.24 I 0.06 G 0.05 C Shift Assignments>> C :: 179.24 CA :: 62.617 CB :: 42.117 CG1 :: 29.933 CG2 :: 20.797 CD1 :: 17.172 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 :: 8.959 HA :: 4.866 HB :: 1.836 HG2 :: 1.062 HG12 :: 0.788 HG13 :: 0.788 HD1 :: 0.712 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 :: 122.89 Ave N Shift Values>> N :: 121.6(4.72) G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.17 L 0.04 C Shift Assignments>> C :: 176.51 CA :: 46.958 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.607 HA2 :: 3.941 HA3 :: 4.526 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.9 Ave N Shift Values>> N :: 109.91(4.29) A100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.33 V 0.24 T 0.19 C 0.09 I 0.06 L 0.04 A 0.02 C Shift Assignments>> C :: 182.75 CA :: 58.204 CB :: 20.352 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.191 HA :: 2.274(S) HB :: 0.562 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.08 Ave N Shift Values>> N :: 123.23(3.7) E101 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 E 0.01 C Shift Assignments>> C :: 181.64 CA :: 62.193 CB :: 30.031 CG :: 38.796 CD :: 186.6(M) 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 :: 8.461 HA :: 3.86 HB2 :: 1.843 HB3 :: 1.843 HG2 :: 2.171 HG3 :: 2.171 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.31 Ave N Shift Values>> N :: 120.68(3.68) E102 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 182.48(M) CA :: 60.961 CB :: 32.363 CG :: 40.004 CD :: 189.45(M) 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 :: 7.401 HA :: 4.012 HB2 :: 2.316 HB3 :: 2.316 HG2 :: 2.299 HG3 :: 2.299 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 :: 120.62 Ave N Shift Values>> N :: 120.68(3.68) F103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.74 C 0.13 G 0.12 C Shift Assignments>> C :: 178.12 CA :: 64.389 CB :: 42.579 CG :: 138.99 CD1 :: 132.39 CD2 :: 132.39 CE1 :: 130.46 CE2 :: 130.46 CZ :: 128.84 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 :: 8.484 HA :: 3.782 HB2 :: 2.99 HB3 :: 2.99 HD1 :: 6.918 HD2 :: 6.918 HE1 :: 7.083 HE2 :: 7.083 HZ :: 6.971 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 :: 121.18 Ave N Shift Values>> N :: 120.69(4.18) Q104 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.45 Q 0.02 HN Overlap>> M87 C Shift Assignments>> C :: 179.67 CA :: 61.866(M) CB :: 30.228 CG :: 35.737 CD :: 181.3(M) 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 :: 7.859 HA :: 3.335 HB2 :: 1.961 HB3 :: 1.961 HG2 :: 2.039 HG3 :: 2.275 HE21 :: 6.719 HE22 :: 7.273 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 :: 117.3 NE2 :: 110.37 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E105 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 E 0.03 C Shift Assignments>> C :: 179.66 CA :: 59.807 CB :: 32.072 CG :: 38.682 CD :: 186.36(M) 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 :: 7.932 HA :: 3.73 HB2 :: 1.913 HB3 :: 1.913 HG2 :: 2.248 HG3 :: 2.248 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 :: 116.97 Ave N Shift Values>> N :: 120.68(3.68) M106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 M 0.16 I 0.02 C Shift Assignments>> C :: 179.41 CA :: 61.349 CB :: 34.853 CG :: 33.809 CE :: 19.496 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 :: 7.507 HA :: 3.97 HB2 :: 1.977 HB3 :: 1.904 HG2 :: 2.283 HG3 :: 2.283 HE :: 1.744 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 :: 118.6 Ave N Shift Values>> N :: 120.1(3.88) V107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 178.71 CA :: 67.547 CB :: 33.419 CG1 :: 24.511 CG2 :: 23.545 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 :: 7.356 HA :: 2.717 HB :: 1.145 HG1 :: 0.18 HG2 :: -0.608(S) 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 :: 116.11 Ave N Shift Values>> N :: 121.02(4.96) H108 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 F 0.01 HN Overlap>> K70 C Shift Assignments>> C :: 176.63 CA :: 57.465 CB :: 33.227 CD2 :: 132.48(S) CE1 :: 137.45 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 :: 7.127 HA :: 4.663 HB2 :: 2.809 HB3 :: 3.168 HD2 :: 6.896 HE1 :: 7.242 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 :: 115.78 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) S109 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 S 0.01 C Shift Assignments>> C :: 181.25(S) CA :: 63.543 CB :: 67.305 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.402 HA :: 4.069 HB2 :: 3.813 HB3 :: 3.813 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 :: 122.21 Ave N Shift Values>> N :: 116.3(3.95) ########################################################################### Overall Results: #Consistent: 60 #Clerical: 0 #Suspicious: 10 #Anomalous: 29 #Mistyped: 10 #Indeterminable: 0 Typing Results: #Consistent: 99 #Suspicious: 0 #Mistyped: 10 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 108 #Suspicious: 1 C Shift Results: #Consistent: 478 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 42 H Shift Results: #Consistent: 630 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 2 N Shift Results: #Consistent: 121 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: D5 CG = 182.72(M), Expected = 178.41, Std = 1.8400, ChiSquare = 1.9161e-02 D11 CG = 181.68(M), Expected = 178.41, Std = 1.8400, ChiSquare = 7.5540e-02 Q17 CD = 182.41(M), Expected = 179.68, Std = 1.1700, ChiSquare = 1.9631e-02 E18 CD = 185.19(M), Expected = 181.94, Std = 1.8500, ChiSquare = 7.8959e-02 R20 CD = 45.72(M), Expected = 43.10, Std = 1.1000, ChiSquare = 1.7227e-02 D21 CG = 181.59(M), Expected = 178.41, Std = 1.8400, ChiSquare = 8.3942e-02 D23 CA = 60.762(M), Expected = 54.52, Std = 2.1000, ChiSquare = 2.9550e-03 D23 CG = 183.92(M), Expected = 178.41, Std = 1.8400, ChiSquare = 2.7484e-03 E26 CD = 186(M), Expected = 181.94, Std = 1.8500, ChiSquare = 2.8193e-02 P27 HA = 2.779(S), Expected = 4.41, Std = 0.3600, ChiSquare = 5.8829e-06 Q28 Typing: Mistyped Q28 CA = 62.059(M), Expected = 56.62, Std = 2.1900, ChiSquare = 1.3008e-02 Q28 CD = 182.77(M), Expected = 179.68, Std = 1.1700, ChiSquare = 8.2655e-03 F30 C = 182.93(M), Expected = 175.49, Std = 2.1300, ChiSquare = 4.7770e-04 Q32 CD = 182.69(M), Expected = 179.68, Std = 1.1700, ChiSquare = 1.0092e-02 S34 HB3 = 2.59(S), Expected = 3.87, Std = 0.3100, ChiSquare = 3.6429e-05 L36 Typing: Mistyped L36 HD1 = 1.707(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.1974e-04 Q43 Typing: Mistyped Q43 CG = 37.538(S), Expected = 33.72, Std = 1.1000, ChiSquare = 5.1870e-04 Q43 CD = 182.48(M), Expected = 179.68, Std = 1.1700, ChiSquare = 1.6704e-02 V44 CA = 69.808(M), Expected = 62.48, Std = 3.0400, ChiSquare = 1.5930e-02 V44 CG1 = 27.133(M), Expected = 21.38, Std = 1.5300, ChiSquare = 1.6982e-04 K45 Typing: Mistyped D46 CG = 181.98(M), Expected = 178.41, Std = 1.8400, ChiSquare = 5.2353e-02 F48 SRO Rule Break>> HA > HB3 : 0.99548625359048 R49 CD = 45.877(M), Expected = 43.10, Std = 1.1000, ChiSquare = 1.1585e-02 D52 HB2 = 1.725(S), Expected = 2.74, Std = 0.2900, ChiSquare = 4.6526e-04 D52 HB3 = 1.25(S), Expected = 2.70, Std = 0.2900, ChiSquare = 5.7330e-07 D54 CG = 183.47(M), Expected = 178.41, Std = 1.8400, ChiSquare = 5.9595e-03 Q55 Typing: Mistyped Q55 CD = 183.54(M), Expected = 179.68, Std = 1.1700, ChiSquare = 9.6980e-04 L59 HD2 = -0.216(S), Expected = 0.76, Std = 0.2800, ChiSquare = 4.9082e-04 D60 CG = 181.33(M), Expected = 178.41, Std = 1.8400, ChiSquare = 1.1252e-01 E61 CD = 185.38(M), Expected = 181.94, Std = 1.8500, ChiSquare = 6.2962e-02 E62 CD = 185.84(M), Expected = 181.94, Std = 1.8500, ChiSquare = 3.5022e-02 E63 Typing: Mistyped E63 C = 183.52(M), Expected = 176.93, Std = 2.1100, ChiSquare = 1.7888e-03 E63 CD = 189.46(M), Expected = 181.94, Std = 1.8500, ChiSquare = 4.8060e-05 Q69 CD = 182.38(M), Expected = 179.68, Std = 1.1700, ChiSquare = 2.1016e-02 E72 Typing: Mistyped E72 CD = 186.13(M), Expected = 181.94, Std = 1.8500, ChiSquare = 2.3521e-02 R76 HH12 = 10.727(M), Expected = 6.75, Std = 0.3200, ChiSquare = 1.8390e-35 R76 HH22 = 9.18(M), Expected = 6.72, Std = 0.3300, ChiSquare = 9.0178e-14 E77 CD = 184.93(M), Expected = 181.94, Std = 1.8500, ChiSquare = 1.0605e-01 E80 CD = 186.27(M), Expected = 181.94, Std = 1.8500, ChiSquare = 1.9256e-02 E82 C = 182.17(M), Expected = 176.93, Std = 2.1100, ChiSquare = 1.3013e-02 E82 CD = 185.5(M), Expected = 181.94, Std = 1.8500, ChiSquare = 5.4314e-02 T83 CA = 69.571(M), Expected = 62.15, Std = 2.7200, ChiSquare = 6.3660e-03 T83 HG2 = -0.107(S), Expected = 1.16, Std = 0.2800, ChiSquare = 6.0396e-06 K84 Typing: Mistyped K84 C = 182.3(M), Expected = 176.46, Std = 2.0500, ChiSquare = 4.3887e-03 A90 CB = 25.083(S), Expected = 18.90, Std = 1.8500, ChiSquare = 8.3128e-04 D91 CG = 181.97(M), Expected = 178.41, Std = 1.8400, ChiSquare = 5.3017e-02 D93 CG = 182.47(M), Expected = 178.41, Std = 1.8400, ChiSquare = 2.7347e-02 D95 CG = 183.94(M), Expected = 178.41, Std = 1.8400, ChiSquare = 2.6520e-03 K97 Typing: Mistyped K97 HD2 = 0.713(S), Expected = 1.61, Std = 0.2500, ChiSquare = 3.3322e-04 K97 HE2 = 2.13(S), Expected = 2.93, Std = 0.2000, ChiSquare = 6.3342e-05 K97 HE3 = 2.13(S), Expected = 2.93, Std = 0.2000, ChiSquare = 6.3342e-05 A100 HA = 2.274(S), Expected = 4.26, Std = 0.4200, ChiSquare = 2.2611e-06 E101 CD = 186.6(M), Expected = 181.94, Std = 1.8500, ChiSquare = 1.1772e-02 E102 Typing: Mistyped E102 C = 182.48(M), Expected = 176.93, Std = 2.1100, ChiSquare = 8.5302e-03 E102 CD = 189.45(M), Expected = 181.94, Std = 1.8500, ChiSquare = 4.9186e-05 Q104 CA = 61.866(M), Expected = 56.62, Std = 2.1900, ChiSquare = 1.6601e-02 Q104 CD = 181.3(M), Expected = 179.68, Std = 1.1700, ChiSquare = 1.6617e-01 E105 CD = 186.36(M), Expected = 181.94, Std = 1.8500, ChiSquare = 1.6886e-02 V107 HG2 = -0.608(S), Expected = 0.83, Std = 0.2900, ChiSquare = 7.0995e-07 H108 CD2 = 132.48(S), Expected = 119.84, Std = 3.3000, ChiSquare = 1.2799e-04 S109 C = 181.25(S), Expected = 174.53, Std = 1.7300, ChiSquare = 1.0259e-04