G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 60.07 CB :: 64.63 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.43 W 0.37 Y 0.19 C Shift Assignments>> CD2 :: 120.02 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>> HD2 :: 7.04 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 :: 120.63 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.38 A 0.14 C Shift Assignments>> C :: 175.94 CA :: 55.52 CB :: 32.95 CG :: 31.89 CE :: 17.09 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.55 HB2 :: 1.98 HB3 :: 2.12 HG2 :: 2.5 HG3 :: 2.58 HE :: 2.07 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 :: 115.37 Ave N Shift Values>> N :: 120.1(3.88) E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.11 K 0.06 I 0.04 Q 0.03 C Shift Assignments>> C :: 176.4 CA :: 56.6 CB :: 30.41 CG :: 36.39 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 :: 8.38 HA :: 4.39 HB2 :: 1.93 HB3 :: 1.93 HG2 :: 2.23 HG3 :: 2.23 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.9 Ave N Shift Values>> N :: 120.68(3.68) E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.11 K 0.06 I 0.04 Q 0.03 C Shift Assignments>> C :: 176.35 CA :: 56.7 CB :: 30.46 CG :: 36.38 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 :: 8.36 HA :: 4.21 HB2 :: 1.93 HB3 :: 1.93 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 :: 122.37 Ave N Shift Values>> N :: 120.68(3.68) K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.17 M 0.03 G 0.01 HN Overlap>> R19 E45 C Shift Assignments>> C :: 175.18 CA :: 56.16 CB :: 33.1 CG :: 24.7 CD :: 29.04 CE :: 42.16 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 :: 4.25 HB2 :: 1.69 HB3 :: 1.69 HG2 :: 1.31 HG3 :: 1.31 HD2 :: 1.61 HD3 :: 1.61 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 :: 121.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.33 C 0.29 C Shift Assignments>> C :: 174.85 CA :: 55.91 CB :: 30.78 CD2 :: 120.06 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 :: 8.28 HA :: 4.61 HB2 :: 3.02 HB3 :: 3.09 HD2 :: 7.03 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 :: 120.58 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) M9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 A 0.32 C 0.23 C Shift Assignments>> CA :: 53.01 CB :: 32.72 CG :: 32.13 CE :: 16.96 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 :: 8.23 HA :: 4.75 HB2 :: 1.89 HB3 :: 1.99 HG2 :: 2.48 HG3 :: 2.55 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 :: 123.31 Ave N Shift Values>> N :: 120.1(3.88) P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.21 P 0.16 C 0.15 I 0.14 W 0.11 R 0.05 E 0.05 H 0.03 K 0.02 Q 0.01 M 0.01 C Shift Assignments>> CA :: 61.56 CB :: 30.82 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 :: 4.65 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 138.29 Ave N Shift Values>> N :: 127.4(10.05) P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 T 0.18 V 0.16 F 0.06 C 0.06 Y 0.05 S 0.05 P 0.05 W 0.04 E 0.02 R 0.01 K 0.01 H 0.01 C Shift Assignments>> CA :: 61.22 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 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 136.2 Ave N Shift Values>> N :: 127.4(10.05) P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 176.61 CA :: 63.2 CB :: 32.07 CG :: 27.39 CD :: 50.42 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 :: 4.38 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 134.68 Ave N Shift Values>> N :: 127.4(10.05) N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.18 C 0.16 Y 0.08 F 0.07 L 0.03 E 0.01 C Shift Assignments>> C :: 176.05 CA :: 53.3 CB :: 38.79 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 :: 8.39 HA :: 4.62 HB2 :: 2.81 HB3 :: 2.77 HD21 :: 7.584 HD22 :: 6.851 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.65 ND2 :: 112.821 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) M14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.4 A 0.12 C Shift Assignments>> C :: 176.2 CA :: 55.75 CB :: 33.2 CG :: 32.02 CE :: 17 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 :: 8.3 HA :: 4.51 HB2 :: 2.01 HB3 :: 1.91 HG2 :: 2.35 HG3 :: 2.51 HE :: 2.02 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.79 Ave N Shift Values>> N :: 120.1(3.88) T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.69 CA :: 61.91 CB :: 69.92 CG2 :: 21.59 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 :: 8.2 HA :: 4.43 HB :: 4.24 HG2 :: 1.18 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 :: 114.9 Ave N Shift Values>> N :: 115.7(5.05) T16 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 :: 173.48 CA :: 61.59 CB :: 69.9 CG2 :: 21.49 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 :: 8.15 HA :: 4.38 HB :: 4.24 HG2 :: 1.18 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 :: 115.73 Ave N Shift Values>> N :: 115.7(5.05) N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 D 0.23 C 0.15 Y 0.11 F 0.1 L 0.07 C Shift Assignments>> C :: 175.25 CA :: 54.23 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 :: 8.06 HA :: 4.46 HB3 :: 2.73 HD21 :: 7.45 HD22 :: 6.75 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 126.33 ND2 :: 112.52 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.08 K 0.07 I 0.06 Q 0.04 C Shift Assignments>> C :: 176.3 CA :: 57.1 CB :: 30.19 CG :: 36.33 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 :: 8.39 HA :: 4.2 HB2 :: 2.03 HB3 :: 1.92 HG2 :: 2.24 HG3 :: 2.24 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 :: 120.46 Ave N Shift Values>> N :: 120.68(3.68) R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.1 G 0.07 L 0.01 HN Overlap>> K7 E45 C Shift Assignments>> C :: 175.77 CA :: 56.1 CB :: 30.5 CG :: 27.21 CD :: 43.37 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 :: 8.25 HA :: 4.26 HB2 :: 1.72 HB3 :: 1.78 HG2 :: 1.33 HG3 :: 1.33 HD2 :: 2.94 HD3 :: 2.94 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.68 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.12 G 0.07 C Shift Assignments>> C :: 175.61 CA :: 56.01 CB :: 31.09 CG :: 27.12 CD :: 43.38 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 :: 8.19 HA :: 4.31 HB2 :: 1.74 HB3 :: 1.74 HG2 :: 1.57 HG3 :: 1.57 HD2 :: 3.14 HD3 :: 3.14 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 :: 122.09 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 174.97 CA :: 61.57 CB :: 32.72 CG1 :: 20.93 CG2 :: 20.91 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 :: 7.85 HA :: 4.03 HB :: 1.77 HG1 :: 0.7 HG2 :: 0.78 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.72 Ave N Shift Values>> N :: 121.02(4.96) I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 175.18 CA :: 60.83 CB :: 37.53 CG1 :: 26.96 CG2 :: 17.45 CD1 :: 12.38 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 :: 8.32 HA :: 4.08 HB :: 1.78 HG2 :: 0.75 HG12 :: 1.04 HG13 :: 1.34 HD1 :: 0.71 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 :: 126.78 Ave N Shift Values>> N :: 121.6(4.72) V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.29 A 0.03 C Shift Assignments>> CA :: 58.26 CB :: 32.71 CG1 :: 21.88 CG2 :: 18.93 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 :: 7.61 HA :: 4.18 HB :: 1.37 HG1 :: 0.48 HG2 :: 0.57 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 :: 119.89 Ave N Shift Values>> N :: 121.02(4.96) P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.45 CA :: 63.13 CB :: 32.24 CG :: 27.33 CD :: 50.16 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 :: 4.35 HB2 :: 1.87 HB3 :: 2.2 HG2 :: 1.95 HD2 :: 3.61 HD3 :: 3.75 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 133.99 Ave N Shift Values>> N :: 127.4(10.05) A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.39 C 0.03 I 0.01 C Shift Assignments>> C :: 176.7 CA :: 54.29 CB :: 18.96 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.47 HA :: 4.07 HB :: 1.38 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.81 Ave N Shift Values>> N :: 123.23(3.7) D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 C 0.22 N 0.2 L 0.11 G 0.05 K 0.03 F 0.02 R 0.02 Y 0.01 C Shift Assignments>> CA :: 49.53 CB :: 41.6 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 :: 7.22 HA :: 4.76 HB2 :: 2.39 HB3 :: 2.8 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 :: 115.07 Ave N Shift Values>> N :: 120.73(4.2) P27 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 177.25 CA :: 61.98 CB :: 30.48 CG :: 27.32 CD :: 50.28 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 :: 1.36(M) HB2 :: 0.43(S) HB3 :: -0.19(M) HG2 :: 0.97 HG3 :: 1.19 HD2 :: 3.76 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) N Shift Assignments>> N :: 134.79 Ave N Shift Values>> N :: 127.4(10.05) T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 176.51 CA :: 64.81 CB :: 68.88 CG2 :: 22.32 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 :: 7.85 HA :: 3.52 HB :: 3.98 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 :: 107.85 Ave N Shift Values>> N :: 115.7(5.05) L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.22 A 0.13 R 0.04 G 0.01 C Shift Assignments>> C :: 178.34 CA :: 54 CB :: 41.86 CG :: 26.68 CD1 :: 25.67 CD2 :: 22.18 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 :: 7.71 HA :: 4.41 HB2 :: 1.76 HB3 :: 1.76 HG :: 1.44 HD1 :: 0.95 HD2 :: 0.76 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 :: 120.01 Ave N Shift Values>> N :: 121.98(4.07) W30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 W 0.25 C Shift Assignments>> C :: 178.81 CA :: 55.49 CB :: 30.65 CD1 :: 122.06 CE3 :: 119.64 CZ2 :: 113.97 CZ3 :: 121.79 CH2 :: 125.35 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 :: 7.5 HA :: 5.55 HB2 :: 3.33 HB3 :: 3.56 HD1 :: 6.34 HE1 :: 10.24 HE3 :: 7.15 HZ2 :: 7.02 HZ3 :: 6.06 HH2 :: 5.75 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 :: 120.02 NE1 :: 126.52 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) S31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 176.13 CA :: 57 CB :: 65.95 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 11.42(S) HA :: 5.06 HB2 :: 4.08 HB3 :: 4.56 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 127.61 Ave N Shift Values>> N :: 116.3(3.95) T32 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 :: 177.94 CA :: 65.33 CB :: 68.35 CG2 :: 22.1 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.15 HA :: 4.47 HB :: 4.33 HG2 :: 1.25 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 :: 111.52 Ave N Shift Values>> N :: 115.7(5.05) D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.16 L 0.15 Y 0.13 C 0.13 D 0.08 R 0.07 I 0.02 C Shift Assignments>> C :: 178.13 CA :: 57.43 CB :: 41.49 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 :: 7.73 HA :: 4.52 HB2 :: 2.33 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 :: 122.67 Ave N Shift Values>> N :: 120.73(4.2) H34 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> W 0.42 C 0.38 H 0.18 C Shift Assignments>> C :: 177.48 CA :: 59.3 CB :: 30.69 CD2 :: 115.16 CE1 :: 138.96 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 :: 7.48 HA :: 4.08 HB2 :: 2.16 HB3 :: 3.38 HD2 :: 6.9 HE1 :: 7.84 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.23 ND1 :: 254.56(M) NE2 :: 166.32 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 177.25 CA :: 67.51 CB :: 32.32 CG1 :: 21.38 CG2 :: 24.13 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 :: 8.07 HA :: 3.8 HB :: 2.57 HG1 :: 1.27 HG2 :: 1.41 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.31 Ave N Shift Values>> N :: 121.02(4.96) R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 G 0.09 K 0.08 L 0.02 C Shift Assignments>> C :: 177.8 CA :: 60.36 CB :: 29.05 CG :: 27.09 CD :: 43.17 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 :: 7.58 HA :: 3.86 HB2 :: 1.97 HB3 :: 2.12 HG2 :: 1.51 HG3 :: 1.63 HD2 :: 3.16 HD3 :: 3.23 HH11 :: 7.32 HH12 :: 7.32 HH21 :: 7.32 HH22 :: 7.32 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 :: 118.99 NH1 :: 83.78 NH2 :: 83.78 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.24 K 0.16 Q 0.15 I 0.08 M 0.03 R 0.01 C Shift Assignments>> C :: 179.31 CA :: 59.46 CB :: 29.3 CG :: 34.91 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 :: 3.92 HB2 :: 1.94 HB3 :: 2.03 HG2 :: 2.51 HG3 :: 2.25 HE21 :: 6.99 HE22 :: 6.71 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.96 NE2 :: 110.12 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) W38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.72 C 0.27 C Shift Assignments>> C :: 177.04 CA :: 62 CB :: 27.98 CD1 :: 126.68 CE3 :: 120.4 CZ2 :: 114.13 CZ3 :: 121.38 CH2 :: 123.39 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 :: 8.54 HA :: 4.25 HB2 :: 2.53 HB3 :: 3.35 HD1 :: 7.12 HE1 :: 11.9(S) HE3 :: 7.8 HZ2 :: 7.78 HZ3 :: 6.96 HH2 :: 7.11 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.71 NE1 :: 133.49 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.33 R 0.15 G 0.04 C Shift Assignments>> C :: 178.7 CA :: 58.15 CB :: 42.81 CG :: 26.39 CD1 :: 26.75 CD2 :: 24.11 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 :: 8.63 HA :: 3.24 HB2 :: 0.98 HB3 :: 1.87 HG :: 1.75 HD1 :: 0.24 HD2 :: 0.16 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 :: 119.83 Ave N Shift Values>> N :: 121.98(4.07) E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 C 0.35 E 0.24 K 0.01 M 0.01 C Shift Assignments>> C :: 179.75 CA :: 59.98 CB :: 29.89 CG :: 37.71 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 :: 8.59 HA :: 3.69 HB2 :: 1.91 HB3 :: 2.09 HG2 :: 2.56 HG3 :: 2.12 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.3 Ave N Shift Values>> N :: 120.68(3.68) W41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.69 C 0.29 HN Overlap>> L54 C Shift Assignments>> C :: 177.19 CA :: 61.52 CB :: 28.31 CD1 :: 126.91 CE3 :: 120.43 CZ2 :: 114.12 CZ3 :: 121.32 CH2 :: 124.41 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 :: 7.89 HA :: 4.02 HB2 :: 3.21 HB3 :: 3.64 HD1 :: 7.18 HE1 :: 9.89 HE3 :: 7.26 HZ2 :: 7.25 HZ3 :: 6.59 HH2 :: 7.04 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 :: 120.55 NE1 :: 129.33 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) A42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.59 A 0.33 I 0.03 C 0.02 C Shift Assignments>> C :: 179.7 CA :: 54.93 CB :: 17.37 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.07 HA :: 2.87(S) HB :: 0.77 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.82 Ave N Shift Values>> N :: 123.23(3.7) V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 178.77 CA :: 66.6 CB :: 31.6 CG1 :: 20.76 CG2 :: 22.09 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 :: 8.5 HA :: 3.36 HB :: 2.11 HG1 :: 0.95 HG2 :: 0.98 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 :: 115.53 Ave N Shift Values>> N :: 121.02(4.96) K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.2 M 0.02 C Shift Assignments>> C :: 178.33 CA :: 58.21 CB :: 32.51 CG :: 24.91 CD :: 28.96 CE :: 42.11 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.78 HA :: 3.97 HB2 :: 1.7 HB3 :: 1.7 HG2 :: 1.29 HG3 :: 1.39 HD2 :: 1.59 HD3 :: 1.59 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 :: 118.69 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.27 K 0.24 Q 0.24 E 0.1 R 0.07 M 0.03 I 0.02 HN Overlap>> K7 R19 C Shift Assignments>> C :: 178.18 CA :: 58.35 CB :: 28.6 CG :: 33.68 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 :: 3.47 HB2 :: 0.15(S) HB3 :: 0.37(S) HG2 :: 0.87(S) HG3 :: 1.34(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.73 Ave N Shift Values>> N :: 120.68(3.68) Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.45 C Shift Assignments>> C :: 176.03 CA :: 57.06 CB :: 37.96 CD1 :: 132.38 CD2 :: 132.38 CE1 :: 117.95 CE2 :: 117.95 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 :: 7.83 HA :: 4.49 HB2 :: 2.42 HB3 :: 3.19 HD1 :: 6.86 HD2 :: 6.86 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 :: 112.11 Ave N Shift Values>> N :: 120.79(4.69) G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 C 0.26 P 0.06 A 0.04 L 0.02 N 0.01 C Shift Assignments>> C :: 174.72 CA :: 47.65 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.19 HA2 :: 3.81 HA3 :: 3.77 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.47 Ave N Shift Values>> N :: 109.91(4.29) L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.18 A 0.14 R 0.01 HN Overlap>> Y79 C Shift Assignments>> CA :: 51.97 CB :: 41.34 CG :: 26.54 CD1 :: 25.42 CD2 :: 22.56 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 :: 7.86 HA :: 4.68 HB2 :: 1.32 HB3 :: 1.74 HG :: 1.55 HD1 :: 0.61 HD2 :: 0.83 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 :: 118.82 Ave N Shift Values>> N :: 121.98(4.07) P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 176.64 CA :: 63.47 CB :: 32.25 CG :: 26.8 CD :: 50.51 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 :: 4.48 HB2 :: 2.16 HB3 :: 1.93 HG2 :: 1.99 HG3 :: 1.99 HD2 :: 3.88 HD3 :: 4 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 136.25 Ave N Shift Values>> N :: 127.4(10.05) D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.21 C 0.14 Y 0.11 F 0.11 L 0.09 K 0.02 C Shift Assignments>> C :: 175.77 CA :: 54.5 CB :: 39.77 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 :: 8.31 HA :: 4.42 HB2 :: 2.69 HB3 :: 2.69 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 :: 116.3 Ave N Shift Values>> N :: 120.73(4.2) V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 HN Overlap>> L84 C Shift Assignments>> C :: 174.99 CA :: 62.7 CB :: 32.01 CG1 :: 20.96 CG2 :: 22.74 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 :: 8.02 HA :: 3.97 HB :: 1.96 HG1 :: 0.61 HG2 :: 0.77 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 :: 119.77 Ave N Shift Values>> N :: 121.02(4.96) N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 C 0.26 D 0.04 Y 0.04 M 0.03 E 0.02 F 0.02 C Shift Assignments>> C :: 176.26 CA :: 51.44 CB :: 37.1 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 :: 8.93 HA :: 4.87 HB2 :: 3.21 HB3 :: 2.81 HD21 :: 7.68 HD22 :: 6.94 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 126.74 ND2 :: 109.51 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 178.33 CA :: 64.54 CB :: 37.96 CG1 :: 28.8 CG2 :: 18.12 CD1 :: 13.34 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 :: 8.43 HA :: 3.69 HB :: 1.93 HG2 :: 0.95 HG12 :: 1.12 HG13 :: 1.62 HD1 :: 0.8 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 :: 124.33 Ave N Shift Values>> N :: 121.6(4.72) L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.37 R 0.03 HN Overlap>> W41 C Shift Assignments>> C :: 180.16 CA :: 57.51 CB :: 41.14 CG :: 27.31 CD1 :: 24.73 CD2 :: 23.39 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 :: 7.94 HA :: 4.13 HB2 :: 1.86 HB3 :: 1.6 HG :: 1.72 HD1 :: 0.95 HD2 :: 0.9 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 :: 120.45 Ave N Shift Values>> N :: 121.98(4.07) L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 L 0.35 A 0.08 R 0.02 C Shift Assignments>> C :: 177.68 CA :: 56.46 CB :: 40.96 CG :: 25.1 CD1 :: 26.39 CD2 :: 21.64 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 :: 7.65 HA :: 4.15 HB2 :: 1.43 HB3 :: 1.84 HG :: 1.5 HD1 :: 1.15 HD2 :: 0.83 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 :: 116.77 Ave N Shift Values>> N :: 121.98(4.07) F56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.45 C Shift Assignments>> C :: 176.67 CA :: 57.22 CB :: 39.21 CD1 :: 132.71 CD2 :: 132.71 CE1 :: 130.67 CE2 :: 130.67 CZ :: 128.87 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 :: 7.92 HA :: 4.45 HB2 :: 2.91 HB3 :: 3.35 HD1 :: 7.15 HD2 :: 7.15 HE1 :: 6.97 HE2 :: 6.97 HZ :: 6.89 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 :: 115.88 Ave N Shift Values>> N :: 120.69(4.18) Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.23 K 0.23 E 0.11 M 0.05 R 0.05 I 0.01 C Shift Assignments>> C :: 174.99 CA :: 58.87 CB :: 29.43 CG :: 33.57 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 :: 7.39 HA :: 4.28 HB2 :: 2.07 HB3 :: 2.31 HG2 :: 2.32 HG3 :: 2.45 HE21 :: 7.48 HE22 :: 6.84 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.31 NE2 :: 110.64 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.18 C 0.15 Y 0.07 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 174.14 CA :: 52.95 CB :: 38.79 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 :: 8.72 HA :: 4.93 HB2 :: 2.63 HB3 :: 3.01 HD21 :: 7.57 HD22 :: 6.88 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 :: 114.64 ND2 :: 112.96 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 173.29 CA :: 62.16 CB :: 38.52 CG1 :: 27.51 CG2 :: 18.2 CD1 :: 13.31 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 :: 7.8 HA :: 4 HB :: 2.21 HG2 :: 1.09 HG12 :: 1.49 HG13 :: 0.99 HD1 :: 0.68 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.38 Ave N Shift Values>> N :: 121.6(4.72) D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.18 L 0.16 C 0.13 K 0.05 F 0.03 R 0.02 Y 0.02 C Shift Assignments>> C :: 176.44 CA :: 51.33 CB :: 41.53 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 :: 7.6 HA :: 4.58 HB2 :: 2.73 HB3 :: 3.38 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.89 Ave N Shift Values>> N :: 120.73(4.2) G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.46 C 0.17 G 0.13 A 0.12 N 0.05 D 0.02 C Shift Assignments>> C :: 175.56 CA :: 48.51 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.69 HA2 :: 3.6 HA3 :: 4.54 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.84 Ave N Shift Values>> N :: 109.91(4.29) K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.18 M 0.02 C Shift Assignments>> C :: 179.18 CA :: 59.73 CB :: 31.85 CG :: 24.8 CD :: 29.27 CE :: 42.01 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 :: 7.81 HA :: 3.82 HB2 :: 1.85 HB3 :: 1.93 HG2 :: 1.44 HG3 :: 1.56 HD2 :: 1.7 HD3 :: 1.7 HE2 :: 3.02 HE3 :: 3.02 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.35 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 K 0.11 I 0.1 Q 0.07 M 0.04 C Shift Assignments>> C :: 179.46 CA :: 58.6 CB :: 29.67 CG :: 35.8 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 :: 7.83 HA :: 4.04 HB2 :: 2.07 HB3 :: 2.14 HG2 :: 2.31 HG3 :: 2.31 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 :: 119.07 Ave N Shift Values>> N :: 120.68(3.68) L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.3 L 0.16 G 0.14 C Shift Assignments>> C :: 179.79 CA :: 58.15 CB :: 43.68 CG :: 26.44 CD1 :: 24.32 CD2 :: 27.87 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.02 HA :: 4.14 HB2 :: 1.72 HB3 :: 1.99 HG :: 1.71 HD1 :: 1.29 HD2 :: 0.98 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.23 Ave N Shift Values>> N :: 121.98(4.07) C65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.46 I 0.39 C 0.06 W 0.02 R 0.01 C Shift Assignments>> C :: 174.46 CA :: 63.24 CB :: 27.34 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.96 HA :: 4.01 HB2 :: 2.67 HB3 :: 2.77 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 :: 111.17 Ave N Shift Values>> N :: 119.95(4.79) K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.15 M 0.03 C Shift Assignments>> C :: 177.07 CA :: 56.03 CB :: 33.58 CG :: 24.65 CD :: 29.45 CE :: 42.02 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 :: 7.38 HA :: 4.38 HB2 :: 1.86 HB3 :: 1.86 HG2 :: 1.53 HG3 :: 1.5 HD2 :: 1.63 HD3 :: 1.63 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 :: 117.72 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.44 I 0.02 C Shift Assignments>> C :: 176.82 CA :: 57.62 CB :: 34.81 CG :: 32.28 CE :: 15.19 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.34 HA :: 4.41 HB2 :: 2.03 HB3 :: 2.29 HG2 :: 2.42 HG3 :: 3 HE :: 1.33 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.67 Ave N Shift Values>> N :: 120.1(3.88) T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.26 C Shift Assignments>> C :: 176.28 CA :: 60.03 CB :: 72.26 CG2 :: 21.78 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.39 HA :: 4.65 HB :: 4.75 HG2 :: 1.38 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 :: 114.16 Ave N Shift Values>> N :: 115.7(5.05) K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.39 R 0.17 G 0.01 M 0.01 C Shift Assignments>> C :: 178.04 CA :: 61.09 CB :: 31.91 CG :: 25.04 CD :: 29.19 CE :: 42.11 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.19 HA :: 3.98 HB2 :: 1.86 HB3 :: 1.86 HG2 :: 1.32 HG3 :: 1.41 HD2 :: 1.67 HD3 :: 1.6 HE3 :: 2.93 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.54 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 C 0.15 K 0.13 L 0.11 D 0.08 I 0.04 R 0.02 N 0.01 C Shift Assignments>> C :: 178.41 CA :: 57.51 CB :: 40.76 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 :: 8.07 HA :: 4.32 HB2 :: 2.49 HB3 :: 2.55 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.22 Ave N Shift Values>> N :: 120.73(4.2) D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 K 0.18 Y 0.15 C 0.13 L 0.13 D 0.08 R 0.04 I 0.03 N 0.01 C Shift Assignments>> C :: 179.36 CA :: 57.42 CB :: 41.15 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 :: 7.55 HA :: 4.37 HB2 :: 2.66 HB3 :: 2.97 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 :: 118.8 Ave N Shift Values>> N :: 120.73(4.2) F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.78 C 0.21 C Shift Assignments>> C :: 178.76 CA :: 63.01 CB :: 40.8 CD1 :: 131.16 CD2 :: 131.16 CE1 :: 131.95 CE2 :: 131.95 CZ :: 129.66 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 :: 8.42 HA :: 3.98 HB2 :: 3.01 HB3 :: 3.21 HD1 :: 7.32 HD2 :: 7.32 HE1 :: 7.44 HE2 :: 7.44 HZ :: 7.32 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.96 Ave N Shift Values>> N :: 120.69(4.18) Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.25 K 0.18 Q 0.14 I 0.06 R 0.01 M 0.01 C Shift Assignments>> C :: 177.05 CA :: 57.45 CB :: 28.43 CG :: 35.4 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 :: 8.45 HA :: 4.96 HB2 :: 2.16 HB3 :: 2.21 HG2 :: 2.55 HG3 :: 2.39 HE21 :: 7.42 HE22 :: 6.89 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.73 NE2 :: 110.78 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.36 K 0.13 G 0.07 C Shift Assignments>> C :: 177.04 CA :: 58.18 CB :: 30.38 CG :: 28.29 CD :: 43.37 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 :: 7.27 HA :: 4.16 HB2 :: 1.85 HB3 :: 1.85 HG2 :: 1.86 HG3 :: 1.63 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 :: 117.01 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.24 G 0.13 R 0.06 A 0.04 C Shift Assignments>> C :: 176.45 CA :: 55.27 CB :: 43.67 CG :: 26.84 CD1 :: 25.11 CD2 :: 22.53 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 :: 7.58 HA :: 4.26 HB2 :: 1.58 HB3 :: 1.07 HG :: 1.4 HD1 :: 0.08 HD2 :: 0.43 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 :: 116.91 Ave N Shift Values>> N :: 121.98(4.07) T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 T 0.44 A 0.08 C Shift Assignments>> CA :: 59.27 CB :: 72.28 CG2 :: 18.73 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 :: 8.18 HA :: 4.98 HB :: 4.2 HG2 :: 1.25 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.03 Ave N Shift Values>> N :: 115.7(5.05) P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.37 V 0.29 I 0.13 C 0.09 W 0.05 R 0.01 E 0.01 C Shift Assignments>> C :: 176.6 CA :: 63.11 CB :: 30.98 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 :: 4.47 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 133.76 Ave N Shift Values>> N :: 127.4(10.05) S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.81 CA :: 61.6 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 :: 8.01 HB2 :: 3.91 HB3 :: 3.96 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.29 Ave N Shift Values>> N :: 116.3(3.95) Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 HN Overlap>> L48 C Shift Assignments>> C :: 177.02 CA :: 59.6 CB :: 38.16 CD1 :: 133.71 CD2 :: 133.71 CE1 :: 118.64 CE2 :: 118.64 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 :: 7.89 HA :: 4.37 HB2 :: 2.87 HB3 :: 3.14 HD1 :: 7.12 HD2 :: 7.12 HE1 :: 6.86 HE2 :: 6.86 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 :: 118.85 Ave N Shift Values>> N :: 120.79(4.69) N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 C 0.2 D 0.14 Y 0.13 F 0.1 E 0.03 L 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 176.86 CA :: 54.42 CB :: 38.42 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 :: 7.16 HA :: 4.4 HB2 :: 2.33 HB3 :: 3.01 HD21 :: 7.46 HD22 :: 6.56 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.1 ND2 :: 110.79 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.37 C 0.04 I 0.02 V 0.01 L 0.01 C Shift Assignments>> C :: 177.73 CA :: 55.3 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 :: 8.24 HA :: 3.63 HB :: 1.43 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.7 Ave N Shift Values>> N :: 123.23(3.7) D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.2 C 0.16 K 0.1 L 0.1 D 0.08 I 0.06 R 0.01 N 0.01 C Shift Assignments>> C :: 179.02 CA :: 57.63 CB :: 40.52 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.14 HA :: 4.22 HB2 :: 2.61 HB3 :: 2.57 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 :: 115.44 Ave N Shift Values>> N :: 120.73(4.2) I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 178.22 CA :: 63.92 CB :: 37.56 CG1 :: 28.67 CG2 :: 17.17 CD1 :: 12.26 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 :: 7.06 HA :: 3.56 HB :: 1.66 HG2 :: 0.33 HG12 :: 0.95 HG13 :: 1.34 HD1 :: 0.6 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.5 Ave N Shift Values>> N :: 121.6(4.72) L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.39 R 0.05 HN Overlap>> V51 C Shift Assignments>> C :: 178.64 CA :: 58.32 CB :: 41.68 CG :: 26.66 CD1 :: 25.32 CD2 :: 22.17 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 :: 8.03 HA :: 4.02 HB2 :: 1.44 HB3 :: 1.59 HG :: 1.63 HD1 :: 0.68 HD2 :: 0.39 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 :: 119.86 Ave N Shift Values>> N :: 121.98(4.07) L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.36 R 0.07 C Shift Assignments>> C :: 179.48 CA :: 58.21 CB :: 41.77 CG :: 27.26 CD1 :: 24.94 CD2 :: 24.87 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 :: 8.22 HA :: 3.81 HB2 :: 1.36 HB3 :: 1.51 HG :: 1.11 HD1 :: 0.74 HD2 :: 0.78 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 :: 117.61 Ave N Shift Values>> N :: 121.98(4.07) S86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.96 CA :: 61.81 CB :: 62.62 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.76 HA :: 4.21 HB2 :: 3.96 HB3 :: 3.96 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 :: 113.94 Ave N Shift Values>> N :: 116.3(3.95) H87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.47 C 0.32 H 0.19 C Shift Assignments>> C :: 177.53 CA :: 61.5 CB :: 31.28 CD2 :: 119.97 CE1 :: 137.69 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 :: 8.08 HA :: 4.53 HB2 :: 3.64 HB3 :: 3.41 HD2 :: 7.03 HE1 :: 7.71 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 :: 122.88 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.36 R 0.07 G 0.01 C Shift Assignments>> C :: 178.82 CA :: 58.08 CB :: 41.96 CG :: 26.84 CD1 :: 23.56 CD2 :: 25.3 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 :: 8.51 HA :: 3.85 HB2 :: 1.64 HB3 :: 1.72 HG :: 1.39 HD1 :: 0.34 HD2 :: 0.53 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 :: 120.07 Ave N Shift Values>> N :: 121.98(4.07) H89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.39 H 0.31 C 0.29 C Shift Assignments>> C :: 177.5 CA :: 59.54 CB :: 29.73 CD2 :: 119.31 CE1 :: 138.28 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 :: 8.28 HA :: 4.14 HB2 :: 3.18 HB3 :: 3.18 HD2 :: 6.91 HE1 :: 7.94 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 :: 116.47 ND1 :: 210.26 NE2 :: 179.59 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Y90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 178.08 CA :: 60.72 CB :: 37.78 CD1 :: 133.34 CD2 :: 133.34 CE1 :: 118.41 CE2 :: 118.41 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 :: 7.8 HA :: 4.27 HB2 :: 3.21 HB3 :: 3.32 HD1 :: 7.08 HD2 :: 7.08 HE1 :: 6.82 HE2 :: 6.82 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 :: 120.26 Ave N Shift Values>> N :: 120.79(4.69) L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.32 R 0.07 G 0.01 A 0.01 C Shift Assignments>> C :: 178.94 CA :: 56.97 CB :: 42.22 CG :: 26.22 CD1 :: 26.17 CD2 :: 22.68 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 :: 8.06 HA :: 3.87 HB2 :: 1.8 HB3 :: 1.27 HG :: 1.71 HD1 :: 0.86 HD2 :: 0.88 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 :: 119.37 Ave N Shift Values>> N :: 121.98(4.07) R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.38 G 0.11 K 0.08 C Shift Assignments>> C :: 176.81 CA :: 57.68 CB :: 31.03 CG :: 27.39 CD :: 43.73 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 :: 7.73 HA :: 3.94 HB2 :: 1.69 HB3 :: 1.9 HG2 :: 1.78 HG3 :: 1.32 HD2 :: 2.95 HD3 :: 3.02 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.01 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.09 K 0.08 I 0.05 Q 0.04 C Shift Assignments>> C :: 176.31 CA :: 56.55 CB :: 30.16 CG :: 36.36 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 :: 7.65 HA :: 4.18 HB2 :: 1.83 HB3 :: 1.98 HG2 :: 2.12 HG3 :: 2.12 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 :: 118.44 Ave N Shift Values>> N :: 120.68(3.68) T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> CA :: 60.23 CB :: 69.91 CG2 :: 21.2 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 :: 7.71 HA :: 4.4 HB :: 3.92 HG2 :: 1.12 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 :: 117.62 Ave N Shift Values>> N :: 115.7(5.05) P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.79 C 0.19 C Shift Assignments>> C :: 176.51 CA :: 63.07 CB :: 31.95 CG :: 27.36 CD :: 50.98 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 :: 4.38 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 139.07 Ave N Shift Values>> N :: 127.4(10.05) L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 C 0.19 A 0.03 R 0.02 C Shift Assignments>> CA :: 52.89 CB :: 41.61 CG :: 26.93 CD1 :: 25.39 CD2 :: 23.49 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 :: 8.18 HA :: 4.52 HB2 :: 1.55 HB3 :: 1.55 HG :: 1.67 HD1 :: 0.9 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 :: 124.36 Ave N Shift Values>> N :: 121.98(4.07) P97 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Consistent N Shift Assignments>> N :: 140.82 Ave N Shift Values>> N :: 127.4(10.05) ########################################################################### Overall Results: #Consistent: 91 #Clerical: 0 #Suspicious: 4 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 95 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 97 #Suspicious: 0 C Shift Results: #Consistent: 432 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 549 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 2 N Shift Results: #Consistent: 111 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: P27 HA = 1.36(M), Expected = 4.41, Std = 0.3600, ChiSquare = 2.4076e-17 P27 HB2 = 0.43(S), Expected = 2.05, Std = 0.3900, ChiSquare = 3.2693e-05 P27 HB3 = -0.19(M), Expected = 2.05, Std = 0.3900, ChiSquare = 9.2690e-09 S31 H = 11.42(S), Expected = 8.29, Std = 0.6200, ChiSquare = 4.4556e-07 H34 ND1 = 254.56(M), Expected = 190.74, Std = 22.8400, ChiSquare = 5.2025e-03 W38 HE1 = 11.9(S), Expected = 10.13, Std = 0.5300, ChiSquare = 8.3892e-04 A42 HA = 2.87(S), Expected = 4.26, Std = 0.4200, ChiSquare = 9.3455e-04 E45 HB2 = 0.15(S), Expected = 2.04, Std = 0.2200, ChiSquare = 8.6284e-18 E45 HB3 = 0.37(S), Expected = 2.04, Std = 0.2300, ChiSquare = 3.8461e-13 E45 HG2 = 0.87(S), Expected = 2.31, Std = 0.2100, ChiSquare = 7.0251e-12 E45 HG3 = 1.34(S), Expected = 2.31, Std = 0.2100, ChiSquare = 3.8551e-06