G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.16 R 0.03 I 0.02 K 0.01 C Shift Assignments>> C :: 177.0 CA :: 63.3 CB :: 32.4 CG :: 27.2 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 :: 4.40 HB2 :: 2.24 HB3 :: 1.88 HG2 :: 1.93 HG3 :: 1.93 HD2 :: 3.54 HD3 :: 3.48 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) L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.29 R 0.08 G 0.01 A 0.01 HN Overlap>> M6 F93 C Shift Assignments>> C :: 177.8 CA :: 55.4 CB :: 42.1 CG :: 27.2 CD1 :: 25.0 CD2 :: 23.6 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 :: 8.54 HA :: 4.28 HB2 :: 1.54 HB3 :: 1.54 HG :: 1.58 HD1 :: 0.82 HD2 :: 0.81 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 :: 119.4 Ave N Shift Values>> N :: 121.98(4.07) G4 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 181.6(S) CA :: 45.4 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.37 HA2 :: 3.78 HA3 :: 3.78 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.4 Ave N Shift Values>> N :: 109.91(4.29) S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.7 CA :: 58.4 CB :: 64.0 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.16 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 :: 113.2 Ave N Shift Values>> N :: 116.3(3.95) M6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.39 A 0.14 HN Overlap>> L3 C Shift Assignments>> C :: 175.9 CA :: 55.6 CB :: 32.7 CG :: 32.1 CE :: 17.1 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 :: 8.46 HA :: 4.46 HE :: 2.00 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 :: 119.4 Ave N Shift Values>> N :: 120.1(3.88) D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.19 K 0.13 C 0.11 F 0.09 N 0.08 Y 0.08 R 0.03 C Shift Assignments>> C :: 176.4 CA :: 54.7 CB :: 41.1 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 :: 8.32 HA :: 4.59 HB2 :: 2.69 HB3 :: 2.59 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 :: 118.9 Ave N Shift Values>> N :: 120.73(4.2) T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.06 C Shift Assignments>> C :: 174.8 CA :: 62.0 CB :: 69.7 CG2 :: 21.7 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 :: 7.99 HA :: 4.26 HB :: 4.21 HG2 :: 1.13 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 :: 110.9 Ave N Shift Values>> N :: 115.7(5.05) E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.09 I 0.06 K 0.06 Q 0.02 C Shift Assignments>> C :: 177.0 CA :: 57.2 CB :: 30.4 CG :: 36.5 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 :: 8.42 HA :: 4.31 HB2 :: 2.06 HB3 :: 1.97 HG2 :: 2.21 HG3 :: 2.21 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 :: 120.5 Ave N Shift Values>> N :: 120.68(3.68) T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 175.2 CA :: 61.9 CB :: 70.4 CG2 :: 21.8 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 :: 8.28 HA :: 4.35 HB :: 4.27 HG2 :: 1.19 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 :: 111.7 Ave N Shift Values>> N :: 115.7(5.05) E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.14 K 0.06 M 0.04 Q 0.02 HN Overlap>> D37 C Shift Assignments>> CA :: 58.3 CB :: 29.8 CG :: 36.6 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 :: 8.53 HA :: 4.08 HB2 :: 1.94 HB3 :: 1.94 HG2 :: 2.17 HG3 :: 2.09 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 :: 120.2 Ave N Shift Values>> N :: 120.68(3.68) F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 F 0.36 C 0.24 HN Overlap>> D13 C Shift Assignments>> C :: 176.8 CA :: 59.9 CB :: 39.2 CD1 :: 131.8 CE1 :: 131.6 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 :: 7.96 HA :: 4.16 HB2 :: 3.01 HB3 :: 3.01 HD1 :: 7.17 HD2 :: 7.17 HE1 :: 7.28 HE2 :: 7.28 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 :: 116.9 Ave N Shift Values>> N :: 120.69(4.18) D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.17 D 0.16 L 0.15 Y 0.15 C 0.14 K 0.12 N 0.04 I 0.02 R 0.02 HN Overlap>> F12 C Shift Assignments>> C :: 178.1 CA :: 56.3 CB :: 40.7 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 :: 7.96 HA :: 4.27 HB2 :: 2.60 HB3 :: 2.60 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 :: 116.9 Ave N Shift Values>> N :: 120.73(4.2) R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.11 K 0.06 C Shift Assignments>> C :: 177.1 CA :: 59.1 CB :: 30.2 CG :: 27.7 CD :: 43.6 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 :: 7.81 HA :: 3.66 HB2 :: 1.70 HB3 :: 1.59 HG2 :: 1.52 HG3 :: 1.36 HD2 :: 3.17 HD3 :: 3.17 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.2 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 177.4 CA :: 65.8 CB :: 37.7 CG1 :: 29.1 CG2 :: 17.1 CD1 :: 13.7 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 :: 7.69 HA :: 3.31 HB :: 1.46 HG2 :: 0.67 HG12 :: 0.97 HG13 :: 0.18 HD1 :: 0.40 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 :: 116.3 Ave N Shift Values>> N :: 121.6(4.72) L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.35 R 0.04 C Shift Assignments>> C :: 180.0 CA :: 57.9 CB :: 41.6 CG :: 26.9 CD1 :: 25.0 CD2 :: 23.6 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 :: 7.41 HA :: 3.87 HB2 :: 1.57 HB3 :: 1.44 HD1 :: 0.79 HD2 :: 0.74 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 :: 116.1 Ave N Shift Values>> N :: 121.98(4.07) L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.37 R 0.02 C Shift Assignments>> C :: 179.6 CA :: 58.1 CB :: 41.4 CG :: 27.0 CD1 :: 24.3 CD2 :: 24.5 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 :: 7.38 HA :: 4.05 HB2 :: 1.50 HB3 :: 1.50 HG :: 1.47 HD1 :: 0.79 HD2 :: 0.70 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 :: 117.8 Ave N Shift Values>> N :: 121.98(4.07) F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 C 0.23 I 0.2 F 0.18 E 0.09 HN Overlap>> T101 C Shift Assignments>> C :: 178.6 CA :: 59.2 CB :: 38.0 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 :: 8.08 HA :: 4.50 HB2 :: 3.27 HB3 :: 3.10 HD1 :: 7.11 HD2 :: 7.11 HE1 :: 7.36 HE2 :: 7.36 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 :: 115.6 Ave N Shift Values>> N :: 120.69(4.18) E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 I 0.17 K 0.1 Q 0.05 M 0.01 C Shift Assignments>> C :: 179.4 CA :: 59.4 CB :: 29.1 CG :: 35.9 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 :: 8.90 HA :: 4.30 HB2 :: 2.13 HB3 :: 1.99 HG2 :: 2.33 HG3 :: 2.33 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 :: 117.6 Ave N Shift Values>> N :: 120.68(3.68) Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.22 K 0.22 E 0.11 R 0.06 I 0.04 M 0.01 C Shift Assignments>> C :: 178.7 CA :: 59.1 CB :: 28.3 CG :: 34.0 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 :: 7.93 HA :: 4.00 HB2 :: 2.24 HB3 :: 2.24 HG2 :: 2.45 HG3 :: 2.33 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 :: 118.3 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 178.3 CA :: 65.4 CB :: 38.2 CG1 :: 29.0 CG2 :: 17.2 CD1 :: 13.8 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 :: 8.06 HA :: 3.72 HB :: 2.10 HG2 :: 0.91 HG12 :: 1.91 HG13 :: 1.10 HD1 :: 0.90 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 :: 119.0 Ave N Shift Values>> N :: 121.6(4.72) R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 C 0.34 R 0.08 HN Overlap>> N38 C Shift Assignments>> C :: 177.1 CA :: 60.2 CB :: 30.2 CG :: 25.9 CD :: 45.3 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 :: 8.62 HA :: 3.55 HB2 :: 1.82 HB3 :: 1.82 HG2 :: 1.69 HG3 :: 1.48 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 :: 118.9 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.22 K 0.21 E 0.16 I 0.04 R 0.04 M 0.02 HN Overlap>> Q147 C Shift Assignments>> C :: 178.6 CA :: 58.9 CB :: 28.7 CG :: 34.3 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 :: 8.20 HA :: 3.83 HB2 :: 2.08 HB3 :: 2.08 HG2 :: 2.43 HG3 :: 2.30 HE21 :: 7.46 HE22 :: 6.80 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 :: 115.8 NE2 :: 110.5 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 K 0.16 Y 0.16 C 0.14 L 0.13 D 0.09 I 0.03 R 0.03 N 0.01 C Shift Assignments>> C :: 178.9 CA :: 57.4 CB :: 41.0 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 :: 8.27 HA :: 4.34 HB2 :: 2.75 HB3 :: 2.65 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 :: 118.1 Ave N Shift Values>> N :: 120.73(4.2) A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.3 I 0.01 C 0.01 C Shift Assignments>> C :: 180.5 CA :: 54.0 CB :: 16.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.50 HA :: 4.55 HB :: 0.91 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.0 Ave N Shift Values>> N :: 123.23(3.7) E26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.18 K 0.08 Q 0.02 M 0.02 HN Overlap>> E48 Y127 C Shift Assignments>> C :: 179.0 CA :: 58.9 CB :: 29.2 CG :: 36.4 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 :: 7.69 HA :: 2.58(S) HB2 :: 1.75 HB3 :: 1.65 HG2 :: 2.16 HG3 :: 1.96 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 :: 118.5 Ave N Shift Values>> N :: 120.68(3.68) N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.21 F 0.15 E 0.11 N 0.1 D 0.06 I 0.04 M 0.02 L 0.01 HN Overlap>> Q147 C Shift Assignments>> C :: 178.9 CA :: 56.2 CB :: 38.0 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 :: 8.03 HA :: 4.33 HB2 :: 2.88 HB3 :: 2.77 HD21 :: 6.92 HD22 :: 7.78 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 :: 115.8 ND2 :: 110.8 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.4 CA :: 66.9 CB :: 68.1 CG2 :: 21.0 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 :: 8.67 HA :: 3.87 HB :: 4.17 HG2 :: 1.13 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 :: 117.9 Ave N Shift Values>> N :: 115.7(5.05) Y29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 175.9 CA :: 61.3 CB :: 39.5 CD1 :: 133.8 CE1 :: 119.3 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 :: 8.01 HA :: 3.86 HB2 :: 2.99 HB3 :: 2.82 HD1 :: 7.42 HD2 :: 7.42 HE1 :: 7.00 HE2 :: 7.00 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.9 Ave N Shift Values>> N :: 120.79(4.69) K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.36 R 0.24 M 0.01 G 0.01 C Shift Assignments>> C :: 178.3 CA :: 59.0 CB :: 32.4 CG :: 25.6 CD :: 29.4 CE :: 42.3 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 :: 7.33 HA :: 3.85 HB2 :: 1.90 HB3 :: 1.90 HG2 :: 1.72 HG3 :: 1.50 HD2 :: 1.70 HD3 :: 1.70 HE2 :: 2.97 HE3 :: 2.97 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 112.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6 CA :: 59.7 CB :: 64.0 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.14 HA :: 4.38 HB2 :: 3.85 HB3 :: 3.85 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 108.5 Ave N Shift Values>> N :: 116.3(3.95) N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.18 D 0.12 Y 0.03 F 0.02 L 0.01 HN Overlap>> D76 C Shift Assignments>> C :: 172.2 CA :: 51.0 CB :: 38.4 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 :: 8.47 HA :: 5.03 HB2 :: 2.95 HB3 :: 2.68 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 :: 114.7 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 175.5 CA :: 64.3 CB :: 31.7 CG :: 26.6 CD :: 50.3 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 :: 4.23 HB2 :: 1.76 HB3 :: 1.48 HG2 :: 1.80 HG3 :: 1.70 HD2 :: 3.69 HD3 :: 3.23 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) L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.29 A 0.11 C Shift Assignments>> C :: 176.0 CA :: 53.5 CB :: 40.3 CG :: 27.4 CD1 :: 25.4 CD2 :: 22.6 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 :: 7.42 HA :: 4.58 HB2 :: 1.75 HB3 :: 1.69 HG :: 1.50 HD1 :: 0.92 HD2 :: 0.81 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 113.3 Ave N Shift Values>> N :: 121.98(4.07) D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.23 L 0.13 C 0.11 F 0.06 Y 0.06 K 0.04 C Shift Assignments>> C :: 177.4 CA :: 53.2 CB :: 40.5 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 :: 6.81 HA :: 4.73 HB2 :: 3.09 HB3 :: 2.59 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 :: 114.8 Ave N Shift Values>> N :: 120.73(4.2) A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 A 0.45 C 0.03 I 0.01 V 0.01 L 0.01 C Shift Assignments>> C :: 180.1 CA :: 54.8 CB :: 19.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.98 HA :: 4.25 HB :: 1.68 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.5 Ave N Shift Values>> N :: 123.23(3.7) D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.25 C 0.18 I 0.09 L 0.06 D 0.06 K 0.04 N 0.01 HN Overlap>> E11 C Shift Assignments>> C :: 179.0 CA :: 58.0 CB :: 40.0 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 :: 8.43 HA :: 4.50 HB2 :: 3.00 HB3 :: 2.73 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 :: 120.2 Ave N Shift Values>> N :: 120.73(4.2) N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.24 C 0.2 I 0.08 D 0.07 L 0.05 N 0.03 E 0.02 K 0.01 HN Overlap>> R22 C Shift Assignments>> C :: 177.4 CA :: 57.4 CB :: 39.4 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 :: 8.62 HA :: 4.40 HB2 :: 2.91 HB3 :: 2.65 HD21 :: 8.05 HD22 :: 7.57 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 :: 118.9 ND2 :: 110.4 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 L 0.31 G 0.18 K 0.09 R 0.03 C Shift Assignments>> C :: 178.2 CA :: 59.6 CB :: 43.5 CD1 :: 26.3 CD2 :: 24.7 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 :: 7.52 HA :: 4.13 HB2 :: 1.90 HB3 :: 1.74 HG :: 1.92 HD1 :: 1.01 HD2 :: 1.01 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 :: 116.3 Ave N Shift Values>> N :: 121.98(4.07) T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> K78 C Shift Assignments>> C :: 177.0 CA :: 67.9 CB :: 68.0 CG2 :: 21.5 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 :: 7.83 HA :: 4.04 HB :: 4.43 HG2 :: 1.28 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.0 Ave N Shift Values>> N :: 115.7(5.05) R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.37 G 0.15 K 0.04 HN Overlap>> E102 C Shift Assignments>> C :: 178.5 CA :: 59.6 CB :: 30.2 CG :: 27.8 CD :: 43.8 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 :: 8.37 HA :: 4.19 HB2 :: 2.01 HB3 :: 2.01 HG2 :: 1.76 HG3 :: 1.49 HD2 :: 3.24 HD3 :: 3.24 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.6 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) W42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 W 0.43 HN Overlap>> H141 C Shift Assignments>> C :: 178.7 CA :: 57.3 CB :: 30.5 CD1 :: 122.8 CZ2 :: 114.9 CZ3 :: 121.4 CH2 :: 123.5 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.75 HA :: 4.34 HB2 :: 3.44 HB3 :: 3.26 HD1 :: 6.97 HE1 :: 10.49 HZ2 :: 7.39 HZ3 :: 6.16 HH2 :: 6.92 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.7 NE1 :: 125.5 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.29 G 0.27 C 0.24 A 0.1 N 0.04 D 0.01 L 0.01 C Shift Assignments>> C :: 175.7 CA :: 48.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.41 HA2 :: 3.04 HA3 :: 2.66 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.4 Ave N Shift Values>> N :: 109.91(4.29) G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 C 0.27 P 0.1 A 0.05 N 0.02 L 0.02 C Shift Assignments>> C :: 175.6 CA :: 47.8 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.57 HA2 :: 4.21 HA3 :: 3.88 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.8 Ave N Shift Values>> N :: 109.91(4.29) V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 177.3 CA :: 64.8 CB :: 31.4 CG1 :: 21.2 CG2 :: 23.5 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 :: 8.41 HA :: 4.05 HB :: 2.23 HG1 :: 1.23 HG2 :: 1.25 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 :: 119.0 Ave N Shift Values>> N :: 121.02(4.96) L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.39 R 0.07 C Shift Assignments>> C :: 179.2 CA :: 58.4 CB :: 41.8 CG :: 27.2 CD1 :: 25.0 CD2 :: 22.3 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 :: 7.83 HA :: 4.03 HB2 :: 1.93 HB3 :: 1.18 HG :: 1.78 HD1 :: 0.28 HD2 :: 0.84 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 :: 121.8 Ave N Shift Values>> N :: 121.98(4.07) L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.4 R 0.01 HN Overlap>> L73 C Shift Assignments>> C :: 181.4 CA :: 58.0 CB :: 40.9 CG :: 26.3 CD1 :: 25.0 CD2 :: 24.3 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 :: 7.79 HA :: 3.84 HB2 :: 1.93 HB3 :: 1.57 HG :: 1.86 HD1 :: 0.90 HD2 :: 0.75 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 :: 114.6 Ave N Shift Values>> N :: 121.98(4.07) E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.25 K 0.15 Q 0.12 I 0.12 M 0.01 R 0.01 HN Overlap>> E26 Y127 C Shift Assignments>> C :: 179.6 CA :: 59.4 CB :: 28.8 CG :: 35.2 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 :: 7.72 HA :: 3.93 HB2 :: 1.44 HB3 :: 1.34 HG2 :: 1.97 HG3 :: 1.90 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 :: 118.6 Ave N Shift Values>> N :: 120.68(3.68) L49 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 G 0.27 A 0.11 I 0.07 C Shift Assignments>> C :: 180.1 CA :: 57.4 CB :: 43.5 CG :: 17.2(M) CD2 :: 24.7 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 :: 8.72 HA :: 4.26 HB2 :: 2.00 HB3 :: 1.60 HG :: 1.68 HD1 :: 0.94 HD2 :: 1.20 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 :: 116.0 Ave N Shift Values>> N :: 121.98(4.07) S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> S130 C Shift Assignments>> C :: 175.1 CA :: 62.8 CB :: 62.7 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.03 HA :: 3.87 HB2 :: 4.12 HB3 :: 4.12 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 :: 113.9 Ave N Shift Values>> N :: 116.3(3.95) Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 C 0.25 Q 0.24 R 0.09 E 0.07 M 0.07 C Shift Assignments>> C :: 176.1 CA :: 57.2 CB :: 29.0 CG :: 33.2 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 :: 6.77 HA :: 4.02 HB2 :: 1.59 HB3 :: 1.59 HG2 :: 1.95 HG3 :: 1.46 HE21 :: 7.60 HE22 :: 6.69 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 :: 115.5 NE2 :: 110.0 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.33 C 0.29 HN Overlap>> E120 C Shift Assignments>> C :: 174.9 CA :: 57.4 CB :: 39.1 CD1 :: 132.3 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 :: 7.67 HA :: 4.60 HB2 :: 3.38 HB3 :: 2.60 HD1 :: 7.38 HD2 :: 7.38 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 :: 114.5 Ave N Shift Values>> N :: 120.69(4.18) H53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 W 0.17 H 0.14 Y 0.05 C Shift Assignments>> C :: 174.6 CA :: 56.4 CB :: 34.4 CD2 :: 121.3 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 :: 7.29 HA :: 4.71 HB2 :: 3.44 HB3 :: 2.74 HD2 :: 7.24 HE1 :: 7.37 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 :: 116.1 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.1 CA :: 58.1 CB :: 64.2 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.19 HA :: 4.43 HB2 :: 4.24 HB3 :: 4.10 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 :: 114.1 Ave N Shift Values>> N :: 116.3(3.95) I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 HN Overlap>> I62 C Shift Assignments>> C :: 177.4 CA :: 65.9 CB :: 38.0 CG1 :: 29.1 CG2 :: 17.5 CD1 :: 13.3 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 :: 8.45 HA :: 3.78 HB :: 1.86 HG2 :: 0.97 HG12 :: 1.66 HG13 :: 1.21 HD1 :: 0.93 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 :: 118.1 Ave N Shift Values>> N :: 121.6(4.72) S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.6 CA :: 62.0 CB :: 62.4 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.36 HA :: 4.08 HB2 :: 3.84 HB3 :: 3.84 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 :: 110.8 Ave N Shift Values>> N :: 116.3(3.95) D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.18 C 0.15 L 0.12 D 0.12 K 0.11 I 0.03 N 0.02 R 0.01 C Shift Assignments>> C :: 178.3 CA :: 57.0 CB :: 40.6 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 :: 7.51 HA :: 4.41 HB2 :: 2.85 HB3 :: 2.46 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 :: 120.2 Ave N Shift Values>> N :: 120.73(4.2) A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.3 C 0.06 V 0.03 L 0.02 I 0.02 T 0.01 C Shift Assignments>> C :: 179.7 CA :: 55.7 CB :: 19.6 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.52 HA :: 3.84 HB :: 1.47 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.2 Ave N Shift Values>> N :: 123.23(3.7) K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.25 K 0.18 G 0.01 C Shift Assignments>> C :: 178.7 CA :: 61.3 CB :: 32.5 CG :: 27.4 CD :: 29.3 CE :: 41.7 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 :: 8.23 HA :: 3.69 HB2 :: 1.84 HB3 :: 1.84 HG2 :: 1.73 HG3 :: 0.68 HD2 :: 1.45 HD3 :: 1.35 HE2 :: 2.38 HE3 :: 2.38 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 113.4 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.22 K 0.22 E 0.11 R 0.06 I 0.04 M 0.01 C Shift Assignments>> C :: 178.6 CA :: 59.0 CB :: 28.3 CG :: 34.0 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 :: 7.19 HA :: 4.07 HB2 :: 2.16 HB3 :: 2.16 HG2 :: 2.46 HG3 :: 2.34 HE21 :: 7.46 HE22 :: 6.68 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 :: 114.9 NE2 :: 110.4 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.35 V 0.05 I 0.05 HN Overlap>> E64 A142 C Shift Assignments>> C :: 178.0 CA :: 59.5 CB :: 33.4 CE :: 17.2 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 :: 8.04 HA :: 3.95 HB2 :: 2.54 HB3 :: 2.27 HG2 :: 1.91 HG3 :: 1.91 HE :: 1.68 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 :: 118.7 Ave N Shift Values>> N :: 120.1(3.88) I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 HN Overlap>> I55 C Shift Assignments>> C :: 177.6 CA :: 65.7 CB :: 37.9 CG1 :: 29.7 CG2 :: 19.0 CD1 :: 14.5 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 :: 8.50 HA :: 3.34 HB :: 1.71 HG2 :: 0.60 HG12 :: 1.86 HG13 :: 0.75 HD1 :: 0.64 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 :: 118.1 Ave N Shift Values>> N :: 121.6(4.72) Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.19 K 0.19 E 0.13 I 0.07 R 0.04 HN Overlap>> K104 C Shift Assignments>> CA :: 59.3 CB :: 28.0 CG :: 34.4 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 :: 7.82 HA :: 3.69 HB2 :: 2.16 HB3 :: 1.98 HG2 :: 2.44 HG3 :: 2.15 HE21 :: 6.67 HE22 :: 6.62 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 :: 115.7 NE2 :: 108.7 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.19 K 0.09 Q 0.03 M 0.01 HN Overlap>> M61 C Shift Assignments>> C :: 179.5 CA :: 59.2 CB :: 29.0 CG :: 36.2 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 :: 8.08 HA :: 3.73 HB2 :: 1.93 HB3 :: 1.85 HG2 :: 1.98 HG3 :: 1.70 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 :: 118.6 Ave N Shift Values>> N :: 120.68(3.68) A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.25 I 0.06 C 0.03 C Shift Assignments>> C :: 178.2 CA :: 55.8 CB :: 18.0 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.44 HA :: 3.22 HB :: 1.37 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.2 Ave N Shift Values>> N :: 123.23(3.7) I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 177.4 CA :: 67.2 CB :: 37.9 CG1 :: 31.6 CG2 :: 16.8 CD1 :: 12.3 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 :: 7.86 HA :: 3.36 HB :: 1.70 HG2 :: 0.60 HG12 :: 1.53 HG13 :: 0.22 HD1 :: -0.11 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 :: 114.0 Ave N Shift Values>> N :: 121.6(4.72) T67 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 :: 177.4 CA :: 65.6 CB :: 68.6 CG2 :: 22.2 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 :: 7.36 HA :: 4.14 HB :: 4.08 HG2 :: 1.21 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 :: 107.7 Ave N Shift Values>> N :: 115.7(5.05) K68 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.5 L 0.24 R 0.19 K 0.05 C Shift Assignments>> C :: 178.7 CA :: 57.4 CB :: 29.1 CG :: 23.4 CD :: 26.1 CE :: 41.0 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 :: 7.25 HA :: 3.80 HB2 :: 1.64 HB3 :: 1.64 HG2 :: 0.86 HG3 :: 0.00(S) HD2 :: 0.10(M) HD3 :: 0.62(S) HE2 :: 0.11(M) HE3 :: 1.30(M) 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 :: 119.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE2 > HB2 : 0.9970) (HE3 > HB2 : 0.9970) (HE2 > HB3 : 0.9957) (HE3 > HB3 : 0.9974) (HE2 > HG2 : 0.9988) (HE2 > HD3 : 0.9989) F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.38 C 0.34 F 0.26 C Shift Assignments>> C :: 178.3 CA :: 59.5 CB :: 39.2 CD1 :: 129.6 CE1 :: 128.9 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 :: 7.53 HA :: 4.34 HB2 :: 3.19 HB3 :: 2.85 HD1 :: 6.93 HD2 :: 6.93 HE1 :: 6.74 HE2 :: 6.74 HZ :: 7.34 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 :: 115.9 Ave N Shift Values>> N :: 120.69(4.18) E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 I 0.34 E 0.26 K 0.01 M 0.01 C Shift Assignments>> C :: 179.7 CA :: 59.8 CB :: 29.9 CG :: 37.6 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 :: 8.81 HA :: 3.86 HB2 :: 2.12 HB3 :: 1.82 HG2 :: 2.49 HG3 :: 2.02 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 :: 114.6 Ave N Shift Values>> N :: 120.68(3.68) E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.24 K 0.06 Q 0.02 M 0.02 HN Overlap>> A144 C Shift Assignments>> C :: 179.1 CA :: 59.9 CB :: 29.5 CG :: 36.3 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 :: 7.91 HA :: 3.97 HB2 :: 2.14 HB3 :: 2.14 HG2 :: 2.43 HG3 :: 2.35 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 :: 119.4 Ave N Shift Values>> N :: 120.68(3.68) A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.27 I 0.06 C 0.03 V 0.01 C Shift Assignments>> C :: 179.1 CA :: 55.8 CB :: 18.4 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.21 HA :: 4.00 HB :: 1.66 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.4 Ave N Shift Values>> N :: 123.23(3.7) L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.28 R 0.23 G 0.02 K 0.01 HN Overlap>> L47 E120 C Shift Assignments>> C :: 179.2 CA :: 56.2 CB :: 42.7 CG :: 27.9 CD1 :: 26.0 CD2 :: 23.7 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 :: 7.75 HA :: 4.29 HB2 :: 1.80 HB3 :: 1.41 HG :: 1.72 HD1 :: 0.78 HD2 :: 1.00 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 :: 114.6 Ave N Shift Values>> N :: 121.98(4.07) L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.33 R 0.06 HN Overlap>> Q112 C Shift Assignments>> C :: 179.5 CA :: 57.0 CB :: 41.9 CG :: 26.9 CD1 :: 25.1 CD2 :: 23.5 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 :: 7.50 HA :: 4.14 HB2 :: 1.90 HB3 :: 1.63 HG :: 1.76 HD1 :: 0.90 HD2 :: 0.86 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 :: 117.4 Ave N Shift Values>> N :: 121.98(4.07) I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.13 C Shift Assignments>> C :: 176.8 CA :: 63.8 CB :: 39.3 CG1 :: 28.7 CG2 :: 18.0 CD1 :: 15.5 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 :: 7.26 HA :: 3.79 HB :: 1.96 HG2 :: 1.07 HG12 :: 1.82 HG13 :: 1.06 HD1 :: 0.98 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 :: 117.6 Ave N Shift Values>> N :: 121.6(4.72) D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 C 0.17 L 0.16 N 0.14 G 0.05 K 0.04 R 0.04 F 0.02 Y 0.02 HN Overlap>> N32 C Shift Assignments>> C :: 174.6 CA :: 50.4 CB :: 42.0 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 :: 8.48 HA :: 5.03 HB2 :: 2.82 HB3 :: 2.37 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 :: 114.6 Ave N Shift Values>> N :: 120.73(4.2) P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 177.5 CA :: 63.9 CB :: 32.6 CG :: 27.0 CD :: 50.4 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 :: 4.67 HB2 :: 2.46 HB3 :: 1.92 HG2 :: 2.09 HG3 :: 1.96 HD2 :: 3.85 HD3 :: 3.49 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) K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.29 R 0.29 M 0.01 HN Overlap>> T40 C Shift Assignments>> C :: 176.3 CA :: 54.5 CB :: 30.7 CG :: 24.6 CD :: 28.3 CE :: 41.8 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 :: 7.75 HA :: 4.42 HB2 :: 2.22 HB3 :: 1.84 HG2 :: 1.50 HG3 :: 1.39 HD2 :: 1.71 HD3 :: 1.71 HE2 :: 3.08 HE3 :: 3.00 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 113.0 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 M 0.05 C Shift Assignments>> C :: 175.5 CA :: 54.9 CB :: 30.2 CG :: 25.8 CD :: 29.7 CE :: 38.2(S) 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 :: 7.40 HA :: 4.54 HB2 :: 2.26 HB3 :: 2.26 HG2 :: 1.49 HG3 :: 1.49 HD2 :: 1.75 HD3 :: 1.75 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 :: 120.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 F 0.17 L 0.14 Y 0.14 C 0.13 D 0.09 R 0.06 I 0.03 N 0.01 C Shift Assignments>> C :: 176.7 CA :: 57.3 CB :: 41.3 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 :: 8.67 HA :: 4.21 HB2 :: 2.80 HB3 :: 2.67 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.4 Ave N Shift Values>> N :: 120.73(4.2) E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.2 M 0.04 K 0.03 Q 0.01 C Shift Assignments>> C :: 179.1 CA :: 59.9 CB :: 30.5 CG :: 36.5 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.23 HA :: 4.41 HB2 :: 2.16 HB3 :: 1.89 HG2 :: 2.46 HG3 :: 2.30 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 :: 118.4 Ave N Shift Values>> N :: 120.68(3.68) A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.29 I 0.04 C 0.02 C Shift Assignments>> C :: 178.1 CA :: 55.2 CB :: 17.4 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.65 HA :: 3.76 HB :: 1.65 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.4 Ave N Shift Values>> N :: 123.23(3.7) V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.1 P 0.02 C Shift Assignments>> C :: 177.5 CA :: 66.6 CB :: 32.2 CG1 :: 23.8 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 :: 7.06 HA :: 3.44 HB :: 2.35 HG1 :: 1.11 HG2 :: 1.11 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.4 Ave N Shift Values>> N :: 121.02(4.96) W84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.57 C 0.42 C Shift Assignments>> C :: 178.0 CA :: 62.0 CB :: 28.5 CD1 :: 127.9 CE3 :: 124.1 CZ2 :: 113.8 CZ3 :: 122.0 CH2 :: 121.9 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.96 HA :: 3.84 HB2 :: 3.32 HB3 :: 2.38 HD1 :: 7.39 HE1 :: 10.46 HE3 :: 7.12 HZ2 :: 7.45 HZ3 :: 7.12 HH2 :: 7.84 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 117.2 NE1 :: 127.9 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) C85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.48 P 0.34 C 0.07 V 0.06 T 0.01 C Shift Assignments>> C :: 176.7 CA :: 64.3 CB :: 25.4 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.26 HA :: 3.34 HB2 :: 1.72 HB3 :: 1.26(S) 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 :: 113.0 Ave N Shift Values>> N :: 119.95(4.79) I86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 177.9 CA :: 66.6 CB :: 37.4 CG1 :: 32.5 CG2 :: 17.9 CD1 :: 14.3 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 :: 7.38 HA :: 3.06 HB :: 1.37 HG2 :: -0.21(S) HG12 :: 1.80 HG13 :: 0.48 HD1 :: 0.59 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 :: 118.3 Ave N Shift Values>> N :: 121.6(4.72) G87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.33 C 0.25 P 0.23 A 0.09 N 0.03 D 0.01 L 0.01 C Shift Assignments>> C :: 176.9 CA :: 48.1 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.22 HA2 :: 3.21 HA3 :: 2.38(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.6 Ave N Shift Values>> N :: 109.91(4.29) N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.19 Y 0.17 F 0.1 N 0.09 M 0.04 I 0.03 D 0.03 K 0.01 C Shift Assignments>> C :: 177.6 CA :: 56.1 CB :: 37.3 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 :: 7.75 HA :: 4.33 HB2 :: 2.40 HB3 :: 2.32 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.2 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.35 C 0.04 I 0.02 V 0.02 L 0.01 C Shift Assignments>> C :: 178.8 CA :: 55.4 CB :: 19.3 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.45 HA :: 3.82 HB :: 1.25 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.7 Ave N Shift Values>> N :: 123.23(3.7) Y90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 178.7 CA :: 64.0 CB :: 38.2 CD1 :: 132.7 CE1 :: 118.3 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 :: 8.32 HA :: 4.11 HB2 :: 3.42 HB3 :: 2.36 HD1 :: 6.96 HD2 :: 6.96 HE1 :: 6.36 HE2 :: 6.36 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 :: 114.5 Ave N Shift Values>> N :: 120.79(4.69) T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.5 CA :: 68.4 CB :: 68.5 CG2 :: 21.7 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 :: 7.91 HA :: 3.76 HB :: 4.61 HG2 :: 1.53 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 :: 114.4 Ave N Shift Values>> N :: 115.7(5.05) S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 63.0 CB :: 62.8 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.20 HA :: 4.30 HB2 :: 4.02 HB3 :: 3.82 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 :: 115.2 Ave N Shift Values>> N :: 116.3(3.95) F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.35 C 0.21 HN Overlap>> L3 C Shift Assignments>> C :: 179.0 CA :: 61.3 CB :: 39.6 CD1 :: 131.1 CE1 :: 131.4 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 :: 8.55 HA :: 3.80 HB2 :: 3.15 HB3 :: 3.05 HD1 :: 6.88 HD2 :: 6.88 HE1 :: 7.27 HE2 :: 7.27 HZ :: 7.20 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 :: 119.3 Ave N Shift Values>> N :: 120.69(4.18) A94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.62 A 0.25 I 0.06 C 0.03 C Shift Assignments>> C :: 179.4 CA :: 55.8 CB :: 18.0 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.21 HA :: 3.51 HB :: 0.44(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.1 Ave N Shift Values>> N :: 123.23(3.7) F95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 Y 0.34 C 0.2 C Shift Assignments>> C :: 177.2 CA :: 62.4 CB :: 39.0 CD1 :: 132.0 CE1 :: 130.4 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 :: 7.72 HA :: 4.50 HB2 :: 3.35 HB3 :: 2.98 HD1 :: 7.52 HD2 :: 7.52 HE1 :: 7.30 HE2 :: 7.30 HZ :: 7.65 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 :: 109.4 Ave N Shift Values>> N :: 120.69(4.18) L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.27 K 0.11 A 0.05 G 0.02 C Shift Assignments>> C :: 175.3 CA :: 55.0 CB :: 42.3 CD1 :: 26.5 CD2 :: 22.7 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 :: 7.57 HA :: 4.35 HB2 :: 1.58 HB3 :: 1.58 HG :: 1.77 HD1 :: 0.67 HD2 :: 0.75 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 :: 118.2 Ave N Shift Values>> N :: 121.98(4.07) T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 C 0.23 A 0.06 HN Overlap>> N106 C Shift Assignments>> CA :: 58.0 CB :: 70.5 CG2 :: 20.7 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 :: 7.41 HA :: 4.64 HB :: 4.13 HG2 :: 1.14 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 :: 114.4 Ave N Shift Values>> N :: 115.7(5.05) P98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 176.7 CA :: 63.3 CB :: 32.3 CG :: 26.7 CD :: 50.9 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 :: 3.08(S) HB2 :: 1.73 HB3 :: 1.88 HG2 :: 1.86 HG3 :: 1.86 HD2 :: 3.84 HD3 :: 3.67 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) D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.22 D 0.13 C 0.1 K 0.1 F 0.04 Y 0.03 G 0.03 N 0.01 C Shift Assignments>> C :: 176.2 CA :: 54.7 CB :: 43.0 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 :: 7.39 HA :: 4.36 HB2 :: 2.59 HB3 :: 2.52 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 :: 115.6 Ave N Shift Values>> N :: 120.73(4.2) E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.24 K 0.04 M 0.02 Q 0.01 C Shift Assignments>> C :: 178.3 CA :: 60.1 CB :: 29.9 CG :: 36.4 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 :: 8.96 HA :: 3.70 HB2 :: 2.08 HB3 :: 2.08 HG2 :: 2.38 HG3 :: 2.29 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 :: 124.6 Ave N Shift Values>> N :: 120.68(3.68) T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> F18 C Shift Assignments>> C :: 176.7 CA :: 66.5 CB :: 67.8 CG2 :: 21.8 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 :: 8.07 HA :: 3.88 HB :: 4.27 HG2 :: 1.14 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.6 Ave N Shift Values>> N :: 115.7(5.05) E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 I 0.15 K 0.08 M 0.03 Q 0.03 HN Overlap>> R41 C Shift Assignments>> C :: 180.0 CA :: 58.8 CB :: 29.6 CG :: 36.3 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 :: 8.40 HA :: 4.03 HB2 :: 1.92 HB3 :: 1.92 HG2 :: 2.29 HG3 :: 2.10 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.7 Ave N Shift Values>> N :: 120.68(3.68) A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 A 0.12 I 0.11 C 0.02 C Shift Assignments>> C :: 178.4 CA :: 56.3 CB :: 16.9 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.84 HA :: 3.52 HB :: 0.84 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.6 Ave N Shift Values>> N :: 123.23(3.7) K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.36 R 0.21 G 0.01 HN Overlap>> Q63 C Shift Assignments>> C :: 177.7 CA :: 59.8 CB :: 31.9 CG :: 25.2 CE :: 42.3 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 :: 7.93 HA :: 4.03 HB2 :: 2.00 HB3 :: 2.00 HG2 :: 1.54 HG3 :: 1.44 HD2 :: 1.81 HD3 :: 1.81 HE2 :: 2.99 HE3 :: 2.99 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 :: 115.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.38 C 0.31 H 0.29 C Shift Assignments>> C :: 177.4 CA :: 59.4 CB :: 29.8 CD2 :: 119.5 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 :: 7.66 HA :: 4.33 HB2 :: 3.24 HB3 :: 3.14 HD2 :: 6.77 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 :: 114.9 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 C 0.17 L 0.09 D 0.09 K 0.07 I 0.06 N 0.01 HN Overlap>> T97 C Shift Assignments>> C :: 177.2 CA :: 57.5 CB :: 40.3 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 :: 7.36 HA :: 4.20 HB2 :: 2.88 HB3 :: 2.45 HD21 :: 6.87 HD22 :: 7.18 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 :: 114.5 ND2 :: 109.3 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 F 0.32 C 0.32 C Shift Assignments>> C :: 178.9 CA :: 60.5 CB :: 37.8 CD1 :: 130.9 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 :: 9.08 HA :: 4.45 HB2 :: 3.32 HB3 :: 3.00 HD1 :: 6.95 HD2 :: 6.95 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 :: 119.1 Ave N Shift Values>> N :: 120.69(4.18) D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.25 C 0.2 I 0.09 D 0.06 L 0.04 N 0.02 E 0.02 K 0.01 C Shift Assignments>> C :: 179.6 CA :: 57.6 CB :: 39.3 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 :: 8.93 HA :: 4.37 HB2 :: 2.81 HB3 :: 2.52 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 :: 120.0 Ave N Shift Values>> N :: 120.73(4.2) L109 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.55 C 0.41 R 0.02 HN Overlap>> A135 C Shift Assignments>> C :: 178.6 CA :: 58.0 CB :: 40.9 CG :: 26.8 CD1 :: 25.1 CD2 :: 22.9 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 :: 7.31 HA :: 3.77 HB2 :: 1.12 HB3 :: 0.32(S) HG :: 1.08 HD1 :: 0.22 HD2 :: 0.47 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 :: 120.5 Ave N Shift Values>> N :: 121.98(4.07) A110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.22 I 0.07 C 0.04 V 0.02 HN Overlap>> T125 C Shift Assignments>> C :: 178.7 CA :: 56.2 CB :: 18.6 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.32 HA :: 3.80 HB :: 1.54 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.6 Ave N Shift Values>> N :: 123.23(3.7) T111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.2 CA :: 67.8 CB :: 68.8 CG2 :: 21.8 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 :: 8.47 HA :: 3.86 HB :: 4.36 HG1 :: 5.14 HG2 :: 1.24 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 :: 110.7 Ave N Shift Values>> N :: 115.7(5.05) Q112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.23 Q 0.22 E 0.09 R 0.07 I 0.03 M 0.02 P 0.01 HN Overlap>> L74 C Shift Assignments>> C :: 179.4 CA :: 59.3 CB :: 28.4 CG :: 33.7 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 :: 7.49 HA :: 3.90 HB2 :: 2.00 HB3 :: 1.94 HG2 :: 2.22 HG3 :: 1.98 HE21 :: 6.84 HE22 :: 6.53 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 :: 117.5 NE2 :: 108.6 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.45 F 0.28 C 0.25 C Shift Assignments>> C :: 178.0 CA :: 63.2 CB :: 38.0 CD1 :: 132.0 CE1 :: 131.9 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 :: 7.79 HA :: 3.98 HB2 :: 2.37 HB3 :: 3.19 HD1 :: 7.34 HD2 :: 7.34 HE1 :: 7.17 HE2 :: 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 :: 117.1 Ave N Shift Values>> N :: 120.69(4.18) F114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.33 C 0.32 C Shift Assignments>> C :: 179.7 CA :: 58.8 CB :: 38.1 CE1 :: 130.3 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 :: 9.11 HA :: 4.78 HB2 :: 3.15 HB3 :: 3.04 HD1 :: 7.12 HD2 :: 7.12 HE1 :: 7.11 HE2 :: 7.11 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 :: 116.4 Ave N Shift Values>> N :: 120.69(4.18) Q115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.23 K 0.23 E 0.14 R 0.05 I 0.03 M 0.02 C Shift Assignments>> C :: 177.1 CA :: 58.5 CB :: 28.7 CG :: 34.1 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.05 HA :: 3.95 HB2 :: 2.23 HB3 :: 2.11 HG2 :: 2.25 HG3 :: 2.25 HE21 :: 7.51 HE22 :: 6.78 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 :: 117.7 NE2 :: 112.8 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.22 Q 0.22 R 0.09 E 0.07 I 0.03 M 0.01 P 0.01 C Shift Assignments>> C :: 178.1 CA :: 59.1 CB :: 27.9 CG :: 33.7 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 :: 7.67 HA :: 4.07 HB2 :: 2.10 HB3 :: 2.10 HG2 :: 2.52 HG3 :: 2.26 HE21 :: 6.43 HE22 :: 7.39 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 :: 117.7 NE2 :: 107.8 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.79 A 0.09 I 0.08 C 0.02 C Shift Assignments>> C :: 178.8 CA :: 56.1 CB :: 16.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.14 HA :: 3.81 HB :: 1.07 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.7 Ave N Shift Values>> N :: 123.23(3.7) V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 177.0 CA :: 66.0 CB :: 31.9 CG1 :: 25.2 CG2 :: 21.6 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 :: 7.70 HA :: 3.68 HB :: 2.14 HG1 :: 1.05 HG2 :: 0.94 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.7 Ave N Shift Values>> N :: 121.02(4.96) D119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.21 C 0.16 D 0.12 L 0.1 K 0.06 I 0.04 N 0.03 C Shift Assignments>> C :: 179.4 CA :: 57.0 CB :: 40.2 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 :: 8.38 HA :: 4.26 HB2 :: 2.88 HB3 :: 2.58 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 :: 115.5 Ave N Shift Values>> N :: 120.73(4.2) E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 M 0.13 K 0.06 Q 0.06 I 0.05 HN Overlap>> F52 L73 C Shift Assignments>> C :: 177.6 CA :: 57.7 CB :: 30.7 CG :: 35.9 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 :: 7.67 HA :: 4.25 HB2 :: 2.32 HB3 :: 2.18 HG2 :: 2.58 HG3 :: 2.42 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 :: 114.6 Ave N Shift Values>> N :: 120.68(3.68) Q121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.23 Q 0.19 M 0.16 R 0.07 E 0.01 P 0.01 C Shift Assignments>> CA :: 52.7 CB :: 29.6 CG :: 32.7 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 :: 7.98 HA :: 4.90 HB2 :: 2.16 HB3 :: 2.09 HG2 :: 2.62 HG3 :: 2.25 HE21 :: 6.80 HE22 :: 7.93 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 :: 115.5 NE2 :: 110.8 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.89 C 0.1 C Shift Assignments>> C :: 176.9 CA :: 64.8 CB :: 32.3 CG :: 27.0 CD :: 50.3 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 :: 4.68 HB2 :: 2.36 HB3 :: 1.88 HG2 :: 2.01 HG3 :: 1.82 HD2 :: 3.62 HD3 :: 3.41 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) D123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.17 L 0.16 C 0.11 K 0.07 F 0.05 Y 0.04 R 0.02 C Shift Assignments>> C :: 176.2 CA :: 52.8 CB :: 41.1 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 :: 8.05 HA :: 4.70 HB2 :: 2.64 HB3 :: 2.56 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 :: 112.0 Ave N Shift Values>> N :: 120.73(4.2) N124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 C 0.19 D 0.13 Y 0.1 F 0.07 E 0.03 L 0.02 M 0.01 C Shift Assignments>> C :: 175.8 CA :: 53.7 CB :: 38.3 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 :: 7.63 HA :: 4.34 HB2 :: 2.65 HB3 :: 2.21 HD21 :: 6.67 HD22 :: 6.07 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 :: 118.0 ND2 :: 110.4 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> A110 C Shift Assignments>> C :: 176.3 CA :: 65.3 CB :: 68.4 CG2 :: 21.7 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 :: 8.28 HA :: 3.78 HB :: 3.95 HG2 :: 1.10 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 :: 118.5 Ave N Shift Values>> N :: 115.7(5.05) H126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.35 H 0.33 C 0.31 C Shift Assignments>> C :: 178.4 CA :: 58.7 CB :: 29.3 CD2 :: 119.2 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 :: 7.74 HA :: 4.33 HB2 :: 2.78 HB3 :: 2.78 HD2 :: 6.62 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.6 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Y127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 Y 0.28 H 0.08 HN Overlap>> E26 E48 C Shift Assignments>> C :: 179.4 CA :: 57.0 CB :: 35.3 CD1 :: 131.6 CE1 :: 117.0 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 :: 7.77 HA :: 4.40 HB2 :: 3.29 HB3 :: 3.12 HD1 :: 6.19 HD2 :: 6.19 HE1 :: 6.13 HE2 :: 6.13 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.5 Ave N Shift Values>> N :: 120.79(4.69) L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.34 K 0.03 G 0.01 C Shift Assignments>> C :: 179.6 CA :: 58.2 CB :: 42.1 CD1 :: 24.7 CD2 :: 24.2 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 :: 8.05 HA :: 3.93 HB2 :: 1.70 HB3 :: 1.51 HD1 :: 0.83 HD2 :: 0.91 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 :: 118.3 Ave N Shift Values>> N :: 121.98(4.07) K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.48 M 0.02 C Shift Assignments>> C :: 179.1 CA :: 58.8 CB :: 31.5 CG :: 25.0 CD :: 28.6 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 :: 7.96 HA :: 4.08 HB2 :: 1.98 HB3 :: 1.98 HG2 :: 1.49 HG3 :: 1.49 HD2 :: 1.68 HD3 :: 1.68 HE2 :: 2.92 HE3 :: 2.92 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 :: 118.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S130 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> S50 C Shift Assignments>> C :: 175.8 CA :: 63.0 CB :: 61.3 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.01 HA :: 3.86 HB2 :: 3.40 HB3 :: 2.10(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 :: 114.0 Ave N Shift Values>> N :: 116.3(3.95) L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.33 K 0.24 G 0.02 R 0.01 C Shift Assignments>> C :: 179.4 CA :: 57.8 CB :: 42.4 CD1 :: 23.8 CD2 :: 26.4 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 :: 7.53 HA :: 4.08 HB2 :: 2.05 HB3 :: 1.36 HG :: 1.63 HD1 :: 0.98 HD2 :: 0.96 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 :: 118.7 Ave N Shift Values>> N :: 121.98(4.07) E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.19 K 0.06 M 0.03 Q 0.02 C Shift Assignments>> C :: 179.6 CA :: 59.5 CB :: 29.7 CG :: 36.3 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 :: 8.29 HA :: 4.01 HB2 :: 2.15 HB3 :: 2.15 HG2 :: 2.37 HG3 :: 2.13 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 :: 119.5 Ave N Shift Values>> N :: 120.68(3.68) M133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.48 A 0.03 C Shift Assignments>> C :: 179.2 CA :: 57.3 CB :: 31.7 CG :: 32.3 CE :: 16.7 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 :: 8.16 HA :: 4.27 HB2 :: 2.20 HB3 :: 2.20 HG2 :: 2.75 HG3 :: 2.61 HE :: 2.06 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 :: 114.7 Ave N Shift Values>> N :: 120.1(3.88) T134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 176.8 CA :: 65.6 CB :: 69.0 CG2 :: 23.4 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 :: 7.79 HA :: 3.97 HB :: 4.34 HG2 :: 1.72 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 :: 111.2 Ave N Shift Values>> N :: 115.7(5.05) A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.42 C 0.03 I 0.01 HN Overlap>> L109 C Shift Assignments>> C :: 178.8 CA :: 54.4 CB :: 18.8 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.27 HA :: 4.18 HB :: 1.50 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.6 Ave N Shift Values>> N :: 123.23(3.7) K136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.45 M 0.02 C Shift Assignments>> C :: 176.5 CA :: 55.4 CB :: 33.5 CG :: 25.1 CD :: 29.1 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 :: 7.31 HA :: 4.46 HB2 :: 1.96 HB3 :: 1.80 HG2 :: 1.47 HG3 :: 1.47 HD2 :: 1.65 HD3 :: 1.65 HE2 :: 2.94 HE3 :: 2.94 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 112.2 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.81 I 0.1 A 0.05 C 0.02 C Shift Assignments>> CA :: 56.6 CB :: 15.7 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.33 HA :: 4.08 HB :: 0.86 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.1 Ave N Shift Values>> N :: 123.23(3.7) P138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 179.5 CA :: 66.2 CB :: 30.7 CG :: 28.6 CD :: 50.1 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 :: 4.04 HB2 :: 2.23 HB3 :: 1.75 HG2 :: 2.01 HG3 :: 1.52 HD2 :: 3.31 HD3 :: 3.31 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) Q139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.23 K 0.23 E 0.11 R 0.06 I 0.03 M 0.01 C Shift Assignments>> C :: 178.3 CA :: 58.7 CB :: 28.2 CG :: 34.0 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 :: 7.63 HA :: 4.22 HB2 :: 2.17 HB3 :: 2.17 HG2 :: 2.40 HG3 :: 2.40 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 :: 115.6 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.35 K 0.04 G 0.01 HN Overlap>> K146 C Shift Assignments>> C :: 180.0 CA :: 57.6 CB :: 41.9 CD1 :: 25.3 CD2 :: 22.9 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 :: 7.93 HA :: 4.18 HB2 :: 2.08 HB3 :: 1.67 HG :: 1.75 HD1 :: 0.89 HD2 :: 0.85 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 :: 119.0 Ave N Shift Values>> N :: 121.98(4.07) H141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 H 0.21 W 0.16 HN Overlap>> W42 C Shift Assignments>> C :: 176.3 CA :: 61.7 CB :: 31.7 CD2 :: 117.2 CE1 :: 138.7 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 :: 8.86 HA :: 4.16 HB2 :: 3.37 HB3 :: 3.01 HD2 :: 6.59 HE1 :: 7.20 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.7 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) A142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.03 C 0.02 HN Overlap>> M61 C Shift Assignments>> C :: 181.0 CA :: 55.0 CB :: 18.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.99 HA :: 4.33 HB :: 1.58 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.7 Ave N Shift Values>> N :: 123.23(3.7) E143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.16 K 0.06 M 0.03 Q 0.02 C Shift Assignments>> C :: 178.4 CA :: 58.9 CB :: 29.8 CG :: 36.4 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 :: 8.06 HA :: 4.01 HB2 :: 2.06 HB3 :: 2.06 HG2 :: 2.43 HG3 :: 2.29 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 :: 114.9 Ave N Shift Values>> N :: 120.68(3.68) A144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.45 C 0.02 I 0.02 HN Overlap>> E71 C Shift Assignments>> C :: 179.6 CA :: 54.6 CB :: 18.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.95 HA :: 4.01 HB :: 1.26 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.4 Ave N Shift Values>> N :: 123.23(3.7) Y145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 177.1 CA :: 60.8 CB :: 38.4 CD1 :: 133.2 CE1 :: 117.2 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 :: 7.88 HA :: 4.29 HB2 :: 3.14 HB3 :: 2.61 HD1 :: 6.79 HD2 :: 6.79 HE1 :: 6.51 HE2 :: 6.51 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 112.5 Ave N Shift Values>> N :: 120.79(4.69) K146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.47 M 0.03 HN Overlap>> L140 C Shift Assignments>> C :: 177.5 CA :: 57.9 CB :: 32.6 CG :: 25.1 CD :: 29.4 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 :: 7.91 HA :: 4.24 HB2 :: 1.91 HB3 :: 1.91 HG2 :: 1.46 HG3 :: 1.46 HD2 :: 1.68 HD3 :: 1.68 HE2 :: 2.96 HE3 :: 2.96 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 :: 118.9 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.23 E 0.13 M 0.07 R 0.04 HN Overlap>> Q23 N27 C Shift Assignments>> C :: 176.7 CA :: 56.2 CB :: 29.3 CG :: 34.0 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 :: 8.09 HA :: 4.31 HB2 :: 2.16 HB3 :: 2.01 HG2 :: 2.38 HG3 :: 2.38 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 :: 115.8 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.6 CA :: 45.5 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.05 HA2 :: 3.97 HA3 :: 3.90 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.3 Ave N Shift Values>> N :: 109.91(4.29) L149 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.33 K 0.3 G 0.01 C Shift Assignments>> CA :: 55.3 CB :: 42.2 CD1 :: 32.2(M) CD2 :: 27.1 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 :: 8.10 HA :: 4.28 HB2 :: 1.54 HB3 :: 1.54 HG :: 1.56 HD1 :: 0.84 HD2 :: 0.84 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 :: 118.8 Ave N Shift Values>> N :: 121.98(4.07) G150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> CA :: 45.4 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.54 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.0 Ave N Shift Values>> N :: 109.91(4.29) G151 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.3 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.19 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.3 Ave N Shift Values>> N :: 109.91(4.29) S152 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H153 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H154 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H155 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H156 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.35 H 0.32 C 0.32 C Shift Assignments>> CA :: 57.6 CB :: 31.0 CD2 :: 120.1 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.34 HB2 :: 3.08 HB3 :: 2.95 HD2 :: 6.90 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) H158 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.86 HA :: 4.52 HB2 :: 2.96 HB3 :: 2.52 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 :: 123.2 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) ########################################################################### Overall Results: #Consistent: 145 #Clerical: 0 #Suspicious: 10 #Anomalous: 2 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 148 #Suspicious: 1 #Mistyped: 1 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 157 #Suspicious: 1 C Shift Results: #Consistent: 616 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 2 H Shift Results: #Consistent: 864 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 3 N Shift Results: #Consistent: 159 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: G4 C = 181.6(S), Expected = 174.04, Std = 1.9400, ChiSquare = 9.7429e-05 E26 HA = 2.58(S), Expected = 4.26, Std = 0.4300, ChiSquare = 9.3458e-05 L49 Typing: Suspicious L49 CG = 17.2(M), Expected = 26.77, Std = 1.2500, ChiSquare = 1.9181e-14 K68 HG3 = 0.00(S), Expected = 1.37, Std = 0.2900, ChiSquare = 2.3109e-06 K68 HD2 = 0.10(M), Expected = 1.61, Std = 0.2500, ChiSquare = 1.5411e-09 K68 HD3 = 0.62(S), Expected = 1.61, Std = 0.2500, ChiSquare = 7.4950e-05 K68 HE2 = 0.11(M), Expected = 2.93, Std = 0.2000, ChiSquare = 3.7977e-45 K68 HE3 = 1.30(M), Expected = 2.93, Std = 0.2000, ChiSquare = 3.6392e-16 K68 SRO Rule Break>> HE2 > HB2 : 0.997029997029997 K68 SRO Rule Break>> HE3 > HB2 : 0.99703557312253 K68 SRO Rule Break>> HE2 > HB3 : 0.995656220912194 K68 SRO Rule Break>> HE3 > HB3 : 0.997380484610347 K68 SRO Rule Break>> HE2 > HG2 : 0.998788612961841 K68 SRO Rule Break>> HE2 > HD3 : 0.99894142554693 K79 CE = 38.2(S), Expected = 41.78, Std = 0.9800, ChiSquare = 2.5913e-04 C85 HB3 = 1.26(S), Expected = 2.98, Std = 0.4500, ChiSquare = 1.3225e-04 I86 HG2 = -0.21(S), Expected = 0.80, Std = 0.2900, ChiSquare = 4.9628e-04 G87 HA3 = 2.38(S), Expected = 3.93, Std = 0.4000, ChiSquare = 1.0662e-04 A94 HB = 0.44(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.6991e-04 P98 HA = 3.08(S), Expected = 4.41, Std = 0.3600, ChiSquare = 2.2037e-04 L109 HB3 = 0.32(S), Expected = 1.57, Std = 0.3600, ChiSquare = 5.1617e-04 S130 HB3 = 2.10(S), Expected = 3.87, Std = 0.3100, ChiSquare = 1.1319e-08 L149 Typing: Mistyped L149 CD1 = 32.2(M), Expected = 24.73, Std = 1.7100, ChiSquare = 1.2515e-05