M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.4 Q 0.29 K 0.18 E 0.07 R 0.03 C Shift Assignments>> C :: 176.2 CA :: 55.15 CB :: 33.02 CG :: 30.95 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 :: 4.11 HB2 :: 2.09 HB3 :: 2.48 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) Y2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.23 E 0.17 I 0.13 N 0.03 D 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 176.1 CA :: 57.63 CB :: 37.92 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 :: 8.89 HA :: 4.70 HB2 :: 3.04 HB3 :: 3.04 HD1 :: 7.04 HD2 :: 7.04 HE1 :: 6.73 HE2 :: 6.73 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 :: 122.9 Ave N Shift Values>> N :: 120.79(4.69) G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 L 0.05 C Shift Assignments>> C :: 174.9 CA :: 46.88 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.65 HA2 :: 3.85 HA3 :: 3.93 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.99 Ave N Shift Values>> N :: 109.91(4.29) K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.34 M 0.03 G 0.01 C Shift Assignments>> C :: 179.4 CA :: 57.28 CB :: 32.58 CG :: 25.24 CD :: 29.03 CE :: 42.19 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 :: 7.79 HA :: 4.24 HB2 :: 1.56 HB3 :: 1.75 HG2 :: 1.45 HG3 :: 1.38 HD2 :: 1.66 HD3 :: 1.74 HE2 :: 2.98 HE3 :: 2.98 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 :: 118.74 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.14 K 0.01 HN Overlap>> L75 C Shift Assignments>> C :: 178.0 CA :: 57.81 CB :: 41.62 CG :: 27.42 CD1 :: 25.41 CD2 :: 24.57 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 :: 4.03 HB2 :: 1.62 HB3 :: 1.72 HG :: 1.71 HD1 :: 0.89 HD2 :: 0.94 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 :: 120.57 Ave N Shift Values>> N :: 121.98(4.07) N6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.24 E 0.12 I 0.09 N 0.07 D 0.07 L 0.03 M 0.02 HN Overlap>> H94 C Shift Assignments>> C :: 177.5 CA :: 56.87 CB :: 38.29 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 :: 8.14 HA :: 4.34 HB2 :: 2.73 HB3 :: 2.83 HD21 :: 6.84 HD22 :: 7.74 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 :: 113.3 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.27 D 0.13 L 0.11 I 0.06 K 0.06 N 0.04 C Shift Assignments>> C :: 178.0 CA :: 57.08 CB :: 40.02 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 :: 7.79 HA :: 4.38 HB2 :: 2.80 HB3 :: 2.80 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.52 Ave N Shift Values>> N :: 120.73(4.2) L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.15 K 0.01 C Shift Assignments>> C :: 178.6 CA :: 57.82 CB :: 41.64 CG :: 27.25 CD1 :: 25.8 CD2 :: 24.65 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 :: 4.22 HB2 :: 1.61 HB3 :: 1.89 HG :: 1.59 HD1 :: 0.85 HD2 :: 0.94 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 :: 120.68 Ave N Shift Values>> N :: 121.98(4.07) L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.13 K 0.01 G 0.01 C Shift Assignments>> C :: 179.0 CA :: 58.66 CB :: 41.64 CG :: 27.13 CD1 :: 25.6 CD2 :: 25.2 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 :: 8.15 HA :: 3.94 HB2 :: 1.77 HB3 :: 1.83 HG :: 1.65 HD1 :: 0.87 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 :: 119.17 Ave N Shift Values>> N :: 121.98(4.07) E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.31 E 0.17 R 0.09 I 0.08 M 0.01 HN Overlap>> E70 C Shift Assignments>> C :: 177.9 CA :: 59.35 CB :: 27.98 CG :: 34.15 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 :: 8.03 HA :: 4.12 HB2 :: 2.22 HB3 :: 2.22 HG2 :: 2.52 HG3 :: 2.57 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 :: 118.75 Ave N Shift Values>> N :: 120.68(3.68) D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.29 D 0.13 L 0.09 I 0.07 N 0.04 K 0.03 E 0.01 HN Overlap>> L68 C Shift Assignments>> C :: 179.1 CA :: 57.04 CB :: 39.72 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 :: 8.21 HA :: 4.49 HB2 :: 3.09 HB3 :: 2.62 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 :: 120.50 Ave N Shift Values>> N :: 120.73(4.2) L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.11 G 0.01 C Shift Assignments>> C :: 178.9 CA :: 58.04 CB :: 41.94 CG :: 26.40 CD1 :: 26.20 CD2 :: 22.94 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 :: 8.58 HA :: 4.00 HB2 :: 2.00 HB3 :: 1.40 HG :: 1.92 HD1 :: 0.78 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 :: 119.77 Ave N Shift Values>> N :: 121.98(4.07) Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 Q 0.28 E 0.24 I 0.11 R 0.05 M 0.01 HN Overlap>> M48 C Shift Assignments>> C :: 179.0 CA :: 59.34 CB :: 28.40 CG :: 34.52 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 :: 8.46 HA :: 3.84 HB2 :: 2.12 HB3 :: 2.20 HG2 :: 2.44 HG3 :: 2.57 HE21 :: 7.19 HE22 :: 6.87 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 :: 118.5 NE2 :: 110.22 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 K 0.26 Q 0.24 I 0.14 R 0.04 M 0.01 HN Overlap>> I92 C Shift Assignments>> C :: 179.0 CA :: 59.35 CB :: 28.34 CG :: 34.80 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 :: 8.07 HA :: 4.12 HB2 :: 2.29 HB3 :: 2.29 HG2 :: 2.48 HG3 :: 2.50 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 :: 121.09 Ave N Shift Values>> N :: 120.68(3.68) V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> I85 C Shift Assignments>> C :: 178.9 CA :: 66.52 CB :: 31.44 CG1 :: 22.12 CG2 :: 22.98 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 :: 3.75 HB :: 2.33 HG1 :: 0.92 HG2 :: 1.09 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.37 Ave N Shift Values>> N :: 121.02(4.96) L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.15 G 0.02 C Shift Assignments>> C :: 179.3 CA :: 58.46 CB :: 42.17 CG :: 26.91 CD1 :: 25.62 CD2 :: 24.66 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 :: 3.95 HB2 :: 1.84 HB3 :: 1.62 HG :: 1.62 HD1 :: 0.90 HD2 :: 0.94 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 :: 119.60 Ave N Shift Values>> N :: 121.98(4.07) K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.28 M 0.03 G 0.01 HN Overlap>> D69 C Shift Assignments>> C :: 178.8 CA :: 59.41 CB :: 32.62 CG :: 25.00 CD :: 29.53 CE :: 42.15 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.19 HA :: 4.06 HB2 :: 1.97 HB3 :: 1.97 HG2 :: 1.58 HG3 :: 1.45 HD2 :: 1.62 HD3 :: 1.62 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 :: 118.70 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.25 Y 0.12 F 0.12 L 0.12 K 0.03 C Shift Assignments>> C :: 176.4 CA :: 54.36 CB :: 39.89 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 :: 4.90 HB2 :: 2.81 HB3 :: 2.96 HD21 :: 7.68 HD22 :: 7.12 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 :: 115.55 ND2 :: 114.9 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.16 G 0.05 C Shift Assignments>> C :: 178.0 CA :: 58.97 CB :: 42.58 CG :: 26.70 CD1 :: 25.72 CD2 :: 25.28 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 :: 8.00 HA :: 4.10 HB2 :: 1.74 HB3 :: 1.97 HG :: 1.64 HD1 :: 0.78 HD2 :: 0.89 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.24 Ave N Shift Values>> N :: 121.98(4.07) H20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 I 0.16 K 0.13 W 0.13 Q 0.12 E 0.09 H 0.09 L 0.06 C Shift Assignments>> C :: 176.9 CA :: 58.92 CB :: 27.79 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 :: 8.57 HA :: 4.21 HB2 :: 3.30 HB3 :: 3.30 HD2 :: 7.29 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 :: 112.84 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.29 M 0.04 G 0.01 HN Overlap>> E70 C Shift Assignments>> C :: 177.4 CA :: 58.17 CB :: 33.01 CG :: 24.84 CD :: 29.43 CE :: 42.21 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 :: 7.87 HA :: 4.30 HB2 :: 1.90 HB3 :: 1.90 HG2 :: 1.45 HG3 :: 1.45 HD2 :: 1.72 HD3 :: 1.72 HE2 :: 3.03 HE3 :: 3.03 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 :: 118.62 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.3 L 0.12 F 0.08 Y 0.08 K 0.03 C Shift Assignments>> C :: 174.8 CA :: 53.44 CB :: 40.13 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 :: 7.76 HA :: 4.99 HB2 :: 2.71 HB3 :: 3.14 HD21 :: 7.60 HD22 :: 7.17 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 :: 115.32 ND2 :: 113.80 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) W23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.18 E 0.17 R 0.14 H 0.13 Q 0.12 K 0.09 I 0.05 M 0.05 V 0.03 C Shift Assignments>> C :: 176.1 CA :: 58.46 CB :: 30.05 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 :: 7.95 HA :: 4.70 HB2 :: 3.49 HB3 :: 3.18 HD1 :: 6.99 HE3 :: 7.40 HZ2 :: 7.10 HZ3 :: 6.85 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 :: 122.64 NE1 :: 128.40 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) H24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 Q 0.17 K 0.14 R 0.13 W 0.12 E 0.1 M 0.07 L 0.02 C Shift Assignments>> C :: 173.6 CA :: 54.40 CB :: 29.53 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 :: 8.45 HA :: 4.93 HB2 :: 3.22 HB3 :: 2.93 HD2 :: 7.21 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 :: 126.27 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.16 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 173.7 CA :: 44.89 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.09 HA2 :: 3.96 HA3 :: 3.62 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.32 Ave N Shift Values>> N :: 109.91(4.29) G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.02 C Shift Assignments>> C :: 176.1 CA :: 45.68 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.86 HA2 :: 4.18 HA3 :: 4.18 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.51 Ave N Shift Values>> N :: 109.91(4.29) K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.3 M 0.03 G 0.01 C Shift Assignments>> C :: 178.2 CA :: 58.78 CB :: 32.65 CG :: 25.12 CD :: 29.25 CE :: 42.20 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 :: 8.86 HA :: 4.10 HB2 :: 1.87 HB3 :: 1.87 HG2 :: 1.56 HG3 :: 1.42 HD2 :: 1.73 HD3 :: 1.73 HE2 :: 3.03 HE3 :: 3.03 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.53 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.27 D 0.15 L 0.08 N 0.08 I 0.06 E 0.02 K 0.01 C Shift Assignments>> C :: 177.7 CA :: 56.56 CB :: 39.42 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 :: 8.77 HA :: 4.44 HB2 :: 2.68 HB3 :: 2.77 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 :: 120.80 Ave N Shift Values>> N :: 120.73(4.2) N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 D 0.21 Y 0.19 F 0.16 L 0.06 E 0.03 I 0.02 HN Overlap>> Q65 C Shift Assignments>> C :: 176.2 CA :: 54.95 CB :: 38.86 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 :: 8.26 HA :: 4.67 HB2 :: 2.88 HB3 :: 3.01 HD21 :: 7.76 HD22 :: 7.12 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 :: 118.16 ND2 :: 112.10 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.99 C Shift Assignments>> C :: 177.1 CA :: 57.22 CB :: 40.17 CG :: 26.39 CD1 :: 24.87 CD2 :: 22.39 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 :: 7.48 HA :: 2.90 HB2 :: 0.30(S) HB3 :: 1.41 HG :: 0.90 HD1 :: 0.32 HD2 :: -0.06 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 :: 121.59 Ave N Shift Values>> N :: 121.98(4.07) H31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 K 0.13 Q 0.13 I 0.13 W 0.12 H 0.09 E 0.09 L 0.07 M 0.01 HN Overlap>> N35 C Shift Assignments>> C :: 176.7 CA :: 58.50 CB :: 27.74 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 :: 7.84 HA :: 4.27 HB2 :: 3.29 HB3 :: 3.35 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 :: 116.7 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 L 0.13 D 0.13 K 0.12 I 0.05 N 0.02 R 0.01 HN Overlap>> V67 C Shift Assignments>> C :: 177.9 CA :: 57.17 CB :: 40.48 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 :: 7.82 HA :: 4.24 HB2 :: 2.71 HB3 :: 2.81 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.01 Ave N Shift Values>> N :: 120.73(4.2) V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.2 CA :: 66.85 CB :: 31.31 CG1 :: 21.92 CG2 :: 24.03 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 :: 7.94 HA :: 3.68 HB :: 1.91 HG1 :: 0.84 HG2 :: 1.06 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.94 Ave N Shift Values>> N :: 121.02(4.96) D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 D 0.12 L 0.11 K 0.07 I 0.06 N 0.03 HN Overlap>> K79 C Shift Assignments>> C :: 178.0 CA :: 57.22 CB :: 40.17 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 :: 4.11 HB2 :: 2.73 HB3 :: 2.64 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 :: 120.15 Ave N Shift Values>> N :: 120.73(4.2) N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.22 N 0.13 E 0.1 D 0.1 I 0.06 L 0.03 M 0.02 HN Overlap>> H31 C Shift Assignments>> C :: 177.9 CA :: 56.24 CB :: 38.31 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 :: 7.83 HA :: 4.28 HB2 :: 2.67 HB3 :: 2.61 HD21 :: 7.44 HD22 :: 6.64 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 :: 116.80 ND2 :: 111.19 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) H36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 E 0.15 K 0.13 Q 0.13 H 0.12 R 0.11 I 0.1 M 0.02 V 0.01 L 0.01 HN Overlap>> N72 H94 C Shift Assignments>> C :: 177.5 CA :: 58.77 CB :: 29.21 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 :: 8.27 HA :: 4.61 HB2 :: 3.23 HB3 :: 3.09 HD2 :: 7.33 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.03 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 R 0.21 K 0.01 G 0.01 C Shift Assignments>> C :: 178.3 CA :: 58.43 CB :: 41.87 CG :: 27.53 CD1 :: 25.28 CD2 :: 25.60 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 :: 8.93 HA :: 4.06 HB2 :: 1.62 HB3 :: 1.94 HG :: 1.79 HD1 :: 0.88 HD2 :: 0.94 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 :: 120.44 Ave N Shift Values>> N :: 121.98(4.07) Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 Q 0.28 E 0.2 I 0.12 R 0.07 M 0.01 HN Overlap>> H83 C Shift Assignments>> C :: 178.9 CA :: 59.66 CB :: 28.06 CG :: 34.39 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 :: 8.38 HA :: 3.99 HB2 :: 2.17 HB3 :: 2.17 HG2 :: 2.36 HG3 :: 2.56 HE21 :: 6.72 HE22 :: 7.41 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 :: 118.18 NE2 :: 111.90 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.19 E 0.16 N 0.13 D 0.07 I 0.06 M 0.03 L 0.02 K 0.01 C Shift Assignments>> C :: 178.0 CA :: 56.22 CB :: 37.92 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.04 HA :: 4.45 HB2 :: 2.92 HB3 :: 3.16 HD21 :: 8.19 HD22 :: 6.69 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 :: 118.90 ND2 :: 112.40 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.8 CA :: 67.10 CB :: 31.60 CG1 :: 21.80 CG2 :: 22.99 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 :: 8.15 HA :: 3.73 HB :: 2.23 HG1 :: 0.70 HG2 :: 1.06 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.13 Ave N Shift Values>> N :: 121.02(4.96) I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> K90 C Shift Assignments>> C :: 178.9 CA :: 66.54 CB :: 38.29 CG1 :: 31.44 CG2 :: 17.14 CD1 :: 14.08 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 :: 8.18 HA :: 3.39 HB :: 1.95 HG2 :: 0.88 HG12 :: 0.84 HG13 :: 0.77 HD1 :: 0.76 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 :: 120.93 Ave N Shift Values>> N :: 121.6(4.72) E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.32 E 0.14 R 0.11 I 0.06 M 0.02 C Shift Assignments>> C :: 178.9 CA :: 59.22 CB :: 27.95 CG :: 33.96 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 :: 8.19 HA :: 4.12 HB2 :: 2.21 HB3 :: 2.21 HG2 :: 2.55 HG3 :: 2.41 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 :: 119.90 Ave N Shift Values>> N :: 120.68(3.68) D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 E 0.19 F 0.18 N 0.12 I 0.06 D 0.06 M 0.04 L 0.01 K 0.01 C Shift Assignments>> C :: 178.3 CA :: 56.28 CB :: 37.72 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 :: 8.58 HA :: 4.46 HB2 :: 3.31 HB3 :: 2.84 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) I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.2 CA :: 66.51 CB :: 37.37 CG1 :: 29.92 CG2 :: 18.61 CD1 :: 14.34 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 :: 8.61 HA :: 3.58 HB :: 2.01 HG2 :: 0.89 HG12 :: 0.82 HG13 :: 0.66 HD1 :: 0.66 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.38 Ave N Shift Values>> N :: 121.6(4.72) H45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.24 R 0.16 W 0.14 K 0.11 Q 0.1 E 0.09 H 0.07 L 0.04 C Shift Assignments>> C :: 177.4 CA :: 59.63 CB :: 27.87 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 :: 8.32 HA :: 4.37 HB2 :: 3.48 HB3 :: 3.40 HD2 :: 7.33 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.40 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.29 D 0.11 I 0.08 L 0.06 N 0.06 E 0.03 K 0.01 C Shift Assignments>> C :: 179.3 CA :: 57.02 CB :: 39.17 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 :: 8.66 HA :: 4.42 HB2 :: 3.04 HB3 :: 2.74 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.50 Ave N Shift Values>> N :: 120.73(4.2) F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 F 0.26 Y 0.23 C Shift Assignments>> C :: 179.6 CA :: 61.28 CB :: 39.39 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 :: 8.47 HA :: 4.11 HB2 :: 3.24 HB3 :: 3.01 HD1 :: 7.19 HD2 :: 7.19 HE1 :: 7.44 HE2 :: 7.44 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.74 Ave N Shift Values>> N :: 120.69(4.18) M48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 Q 0.2 E 0.15 K 0.02 HN Overlap>> Q13 C Shift Assignments>> C :: 177.3 CA :: 58.98 CB :: 33.60 CG :: 32.70 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 :: 4.08 HB2 :: 2.27 HB3 :: 2.27 HG2 :: 2.50 HG3 :: 2.78 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 :: 118.42 Ave N Shift Values>> N :: 120.1(3.88) Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.32 E 0.16 M 0.07 R 0.06 HN Overlap>> N88 C Shift Assignments>> C :: 176.7 CA :: 55.94 CB :: 29.08 CG :: 33.96 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 :: 4.44 HB2 :: 2.28 HB3 :: 2.09 HG2 :: 2.44 HG3 :: 2.44 HE21 :: 7.46 HE22 :: 6.88 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 :: 116.46 NE2 :: 112.10 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 175.1 CA :: 45.95 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.75 HA2 :: 4.21 HA3 :: 4.04 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.78 Ave N Shift Values>> N :: 109.91(4.29) G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 R 0.06 F 0.01 C Shift Assignments>> C :: 174.1 CA :: 45.08 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.18 HA2 :: 4.07 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 :: 109.05 Ave N Shift Values>> N :: 109.91(4.29) G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.23 R 0.18 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.3 CA :: 44.50 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.18 HA2 :: 3.22 HA3 :: 3.10 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.70 Ave N Shift Values>> N :: 109.91(4.29) S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 175.3 CA :: 57.25 CB :: 65.84 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.28 HA :: 4.72 HB2 :: 4.01 HB3 :: 4.18 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.94 Ave N Shift Values>> N :: 116.3(3.95) G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.04 N 0.02 C Shift Assignments>> C :: 177.1 CA :: 47.60 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.40 HA2 :: 4.13 HA3 :: 3.91 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.80 Ave N Shift Values>> N :: 109.91(4.29) G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 L 0.04 C Shift Assignments>> C :: 176.9 CA :: 47.19 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.77 HA2 :: 3.97 HA3 :: 3.97 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.39 Ave N Shift Values>> N :: 109.91(4.29) K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.33 M 0.02 G 0.01 C Shift Assignments>> C :: 178.9 CA :: 58.38 CB :: 32.34 CG :: 25.25 CD :: 28.91 CE :: 41.98 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 :: 7.88 HA :: 4.25 HB2 :: 1.96 HB3 :: 1.96 HG2 :: 1.57 HG3 :: 1.57 HD2 :: 1.71 HD3 :: 1.71 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 :: 122.81 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.13 K 0.01 C Shift Assignments>> C :: 178.5 CA :: 58.22 CB :: 41.40 CG :: 27.30 CD1 :: 24.48 CD2 :: 25.70 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 :: 8.25 HA :: 4.15 HB2 :: 1.62 HB3 :: 2.09 HG :: 1.58 HD1 :: 0.67 HD2 :: 0.72 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 :: 120.70 Ave N Shift Values>> N :: 121.98(4.07) Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.32 Q 0.32 E 0.16 R 0.09 I 0.06 M 0.02 C Shift Assignments>> C :: 179.4 CA :: 59.28 CB :: 28.27 CG :: 33.96 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 :: 8.03 HA :: 4.02 HB2 :: 2.22 HB3 :: 2.22 HG2 :: 2.49 HG3 :: 2.49 HE21 :: 7.51 HE22 :: 6.88 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 :: 117.60 NE2 :: 112.10 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 K 0.25 Q 0.24 I 0.12 R 0.03 M 0.03 HN Overlap>> E91 C Shift Assignments>> C :: 178.9 CA :: 59.29 CB :: 28.87 CG :: 34.82 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 :: 7.89 HA :: 4.09 HB2 :: 2.22 HB3 :: 2.22 HG2 :: 2.45 HG3 :: 2.53 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 :: 120.01 Ave N Shift Values>> N :: 120.68(3.68) M60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 Q 0.24 E 0.17 K 0.06 I 0.01 C Shift Assignments>> C :: 178.9 CA :: 59.47 CB :: 33.52 CG :: 31.99 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 :: 8.58 HA :: 4.09 HB2 :: 2.34 HB3 :: 2.34 HG2 :: 2.50 HG3 :: 2.72 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 :: 120.55 Ave N Shift Values>> N :: 120.1(3.88) M61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 Q 0.16 K 0.1 E 0.04 R 0.02 C Shift Assignments>> C :: 179.1 CA :: 58.69 CB :: 31.94 CG :: 32.2 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 :: 8.37 HA :: 4.16 HB2 :: 2.05 HB3 :: 1.98 HG2 :: 2.43 HG3 :: 2.43 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.76 Ave N Shift Values>> N :: 120.1(3.88) K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.27 M 0.03 G 0.01 C Shift Assignments>> C :: 179.4 CA :: 59.37 CB :: 32.35 CG :: 24.94 CD :: 29.40 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 :: 7.74 HA :: 4.13 HB2 :: 1.96 HB3 :: 1.96 HG2 :: 1.57 HG3 :: 1.57 HD2 :: 1.70 HD3 :: 1.70 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 :: 120.86 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 0.44 I 0.21 K 0.17 Q 0.11 M 0.03 C Shift Assignments>> C :: 179.0 CA :: 59.38 CB :: 29.25 CG :: 35.63 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 :: 8.22 HA :: 4.07 HB2 :: 2.16 HB3 :: 2.16 HG2 :: 2.47 HG3 :: 2.38 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 :: 120.38 Ave N Shift Values>> N :: 120.68(3.68) F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 Y 0.3 F 0.3 E 0.02 L 0.01 C Shift Assignments>> C :: 177.7 CA :: 60.07 CB :: 39.11 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 :: 9.00 HA :: 4.28 HB2 :: 3.40 HB3 :: 3.30 HD1 :: 7.28 HD2 :: 7.28 HE1 :: 7.16 HE2 :: 7.16 HZ :: 7.05 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 :: 119.58 Ave N Shift Values>> N :: 120.69(4.18) Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.32 E 0.16 R 0.09 I 0.05 M 0.02 HN Overlap>> N29 C Shift Assignments>> C :: 177.9 CA :: 59.05 CB :: 28.30 CG :: 33.97 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 :: 8.19 HA :: 3.83 HB2 :: 2.27 HB3 :: 2.19 HG2 :: 2.41 HG3 :: 2.46 HE21 :: 7.51 HE22 :: 6.81 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 :: 118.17 NE2 :: 113.50 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.31 E 0.18 R 0.08 I 0.08 M 0.02 C Shift Assignments>> C :: 178.7 CA :: 59.24 CB :: 28.23 CG :: 34.18 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 :: 7.64 HA :: 4.12 HB2 :: 2.02 HB3 :: 1.94 HG2 :: 2.45 HG3 :: 2.25 HE21 :: 7.31 HE22 :: 6.75 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 :: 117.71 NE2 :: 110.86 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> D32 C Shift Assignments>> C :: 177.3 CA :: 66.23 CB :: 31.71 CG1 :: 21.47 CG2 :: 24.71 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 :: 7.92 HA :: 3.86 HB :: 2.37 HG1 :: 0.98 HG2 :: 1.15 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 :: 119.03 Ave N Shift Values>> N :: 121.02(4.96) L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.04 HN Overlap>> D11 C Shift Assignments>> C :: 178.9 CA :: 58.46 CB :: 40.69 CG :: 26.96 CD1 :: 25.62 CD2 :: 22.78 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 :: 8.25 HA :: 3.87 HB2 :: 1.43 HB3 :: 1.82 HG :: 1.64 HD1 :: 0.60 HD2 :: 0.77 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 :: 120.50 Ave N Shift Values>> N :: 121.98(4.07) D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.28 D 0.12 L 0.1 I 0.07 K 0.06 N 0.03 HN Overlap>> K17 C Shift Assignments>> C :: 179.1 CA :: 57.24 CB :: 40.01 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 :: 4.34 HB2 :: 2.79 HB3 :: 2.90 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 :: 118.7 Ave N Shift Values>> N :: 120.73(4.2) E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 Q 0.27 K 0.25 I 0.07 M 0.06 R 0.02 HN Overlap>> E10 K21 C Shift Assignments>> C :: 179.9 CA :: 58.96 CB :: 29.42 CG :: 34.57 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 :: 7.95 HA :: 4.37 HB2 :: 2.25 HB3 :: 2.50 HG2 :: 2.70 HG3 :: 2.70 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 :: 118.68 Ave N Shift Values>> N :: 120.68(3.68) L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.11 G 0.01 C Shift Assignments>> C :: 179.1 CA :: 57.59 CB :: 41.70 CG :: 26.34 CD1 :: 26.50 CD2 :: 23.54 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 :: 8.69 HA :: 4.20 HB2 :: 1.45 HB3 :: 2.05 HG :: 2.25 HD1 :: 0.87 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 :: 119.00 Ave N Shift Values>> N :: 121.98(4.07) N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.23 D 0.16 N 0.15 L 0.06 E 0.05 I 0.04 M 0.01 HN Overlap>> H36 C Shift Assignments>> C :: 177.1 CA :: 56.00 CB :: 38.87 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 :: 8.34 HA :: 4.32 HB2 :: 2.92 HB3 :: 2.80 HD21 :: 7.60 HD22 :: 6.83 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 :: 117.00 ND2 :: 112.90 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.23 Y 0.16 F 0.13 L 0.06 E 0.02 I 0.01 C Shift Assignments>> C :: 176.5 CA :: 54.43 CB :: 38.96 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.79 HA :: 4.57 HB2 :: 2.58 HB3 :: 2.40 HD21 :: 7.50 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 :: 114.46 ND2 :: 113.4 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) H74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.16 K 0.14 W 0.13 E 0.13 R 0.13 M 0.05 I 0.01 L 0.01 C Shift Assignments>> C :: 173.3 CA :: 55.92 CB :: 29.54 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 :: 7.83 HA :: 4.66 HB2 :: 2.25 HB3 :: 2.06 HD2 :: 7.44 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 :: 114.25 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 G 0.21 R 0.13 HN Overlap>> L5 I85 C Shift Assignments>> C :: 177.3 CA :: 54.56 CB :: 43.77 CG :: 26.95 CD1 :: 24.87 CD2 :: 26.10 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 :: 8.07 HA :: 4.79 HB2 :: 1.85 HB3 :: 1.59 HG :: 1.80 HD1 :: 0.99 HD2 :: 1.02 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 :: 120.49 Ave N Shift Values>> N :: 121.98(4.07) Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.33 E 0.13 M 0.09 R 0.09 C Shift Assignments>> C :: 176.2 CA :: 56.45 CB :: 29.18 CG :: 33.55 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 :: 8.84 HA :: 4.40 HB2 :: 2.06 HB3 :: 1.98 HG2 :: 2.31 HG3 :: 2.33 HE21 :: 7.42 HE22 :: 6.81 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.0 NE2 :: 111.9 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.02 C Shift Assignments>> C :: 174.9 CA :: 45.65 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.57 HA2 :: 4.10 HA3 :: 4.00 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.67 Ave N Shift Values>> N :: 109.91(4.29) G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 L 0.05 C Shift Assignments>> C :: 175.4 CA :: 46.67 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.35 HA2 :: 4.00 HA3 :: 3.94 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.68 Ave N Shift Values>> N :: 109.91(4.29) K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.34 M 0.02 G 0.01 HN Overlap>> D34 C Shift Assignments>> C :: 178.5 CA :: 58.84 CB :: 32.30 CG :: 25.47 CD :: 29.21 CE :: 42.23 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 :: 8.38 HA :: 4.06 HB2 :: 1.79 HB3 :: 1.69 HG2 :: 1.32 HG3 :: 1.43 HD2 :: 1.65 HD3 :: 1.65 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 :: 120.13 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 K 0.14 Q 0.13 W 0.13 I 0.11 E 0.1 H 0.1 L 0.06 M 0.01 C Shift Assignments>> C :: 177.3 CA :: 58.44 CB :: 27.98 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 :: 8.65 HA :: 4.51 HB2 :: 3.32 HB3 :: 3.32 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.83 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> Q87 C Shift Assignments>> C :: 176.1 CA :: 66.06 CB :: 68.00 CG2 :: 22.35 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 :: 7.98 HA :: 4.03 HB :: 4.12 HG2 :: 1.23 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 :: 117.76 Ave N Shift Values>> N :: 115.7(5.05) V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.5 CA :: 66.82 CB :: 31.71 CG1 :: 21.77 CG2 :: 23.60 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 :: 3.55 HB :: 2.10 HG1 :: 0.92 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 :: 120.7 Ave N Shift Values>> N :: 121.02(4.96) H83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 K 0.15 W 0.14 Q 0.13 E 0.11 I 0.11 H 0.1 L 0.05 M 0.01 HN Overlap>> Q38 C Shift Assignments>> C :: 176.7 CA :: 58.44 CB :: 28.19 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 :: 8.42 HA :: 4.51 HB2 :: 3.32 HB3 :: 3.36 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.27 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.2 R 0.15 W 0.14 K 0.13 Q 0.11 E 0.1 H 0.08 L 0.03 M 0.01 C Shift Assignments>> C :: 177.4 CA :: 59.40 CB :: 28.10 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 :: 8.15 HA :: 4.39 HB2 :: 3.45 HB3 :: 3.30 HD2 :: 7.32 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.40 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> V15 L75 C Shift Assignments>> C :: 177.8 CA :: 65.51 CB :: 38.40 CG1 :: 28.98 CG2 :: 17.13 CD1 :: 14.12 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 :: 3.71 HB :: 1.97 HG2 :: 0.90 HG12 :: 1.06 HG13 :: 1.06 HD1 :: 0.80 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 :: 120.40 Ave N Shift Values>> N :: 121.6(4.72) E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 K 0.24 Q 0.21 I 0.16 R 0.03 M 0.01 C Shift Assignments>> C :: 178.8 CA :: 59.40 CB :: 28.55 CG :: 35.01 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 :: 8.47 HA :: 4.08 HB2 :: 2.33 HB3 :: 2.33 HG2 :: 2.53 HG3 :: 2.37 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 :: 118.10 Ave N Shift Values>> N :: 120.68(3.68) Q87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.32 E 0.17 R 0.08 M 0.04 I 0.03 HN Overlap>> T81 C Shift Assignments>> C :: 177.4 CA :: 58.50 CB :: 28.80 CG :: 33.90 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 :: 8.03 HA :: 4.00 HB2 :: 2.01 HB3 :: 2.06 HG2 :: 2.31 HG3 :: 2.31 HE21 :: 7.45 HE22 :: 6.64 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 :: 117.75 NE2 :: 112.20 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.21 F 0.14 Y 0.14 L 0.13 K 0.03 I 0.01 HN Overlap>> Q49 C Shift Assignments>> C :: 176.9 CA :: 54.68 CB :: 39.95 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 :: 7.69 HA :: 4.86 HB2 :: 2.64 HB3 :: 2.75 HD21 :: 7.47 HD22 :: 6.95 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 :: 116.57 ND2 :: 112.70 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.2 CA :: 64.39 CB :: 37.75 CG1 :: 28.92 CG2 :: 18.00 CD1 :: 13.81 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 :: 3.68 HB :: 1.73 HG2 :: 0.70 HG12 :: 1.20 HG13 :: 0.88 HD1 :: 0.44 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 :: 120.23 Ave N Shift Values>> N :: 121.6(4.72) K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.36 G 0.01 M 0.01 HN Overlap>> I41 C Shift Assignments>> C :: 178.6 CA :: 60.30 CB :: 31.97 CG :: 25.85 CD :: 29.43 CE :: 42.05 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 :: 8.22 HA :: 3.97 HB2 :: 1.89 HB3 :: 1.81 HG2 :: 1.38 HG3 :: 1.59 HD2 :: 1.69 HD3 :: 1.69 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 :: 121.0 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 I 0.2 K 0.19 Q 0.13 M 0.02 R 0.01 HN Overlap>> E59 C Shift Assignments>> C :: 179.5 CA :: 59.25 CB :: 28.98 CG :: 35.56 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 :: 7.95 HA :: 4.19 HB2 :: 2.14 HB3 :: 2.14 HG2 :: 2.47 HG3 :: 2.38 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 :: 120.00 Ave N Shift Values>> N :: 120.68(3.68) I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> E14 C Shift Assignments>> C :: 178.3 CA :: 65.56 CB :: 38.20 CG1 :: 27.90 CG2 :: 17.43 CD1 :: 14.66 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 :: 8.11 HA :: 3.82 HB :: 1.90 HG2 :: 0.78 HG12 :: 0.98 HG13 :: 0.98 HD1 :: 0.74 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.10 Ave N Shift Values>> N :: 121.6(4.72) F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 Y 0.26 F 0.2 E 0.07 C Shift Assignments>> C :: 177.8 CA :: 60.54 CB :: 37.92 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 :: 8.69 HA :: 4.17 HB2 :: 3.14 HB3 :: 3.18 HD1 :: 7.03 HD2 :: 7.03 HE1 :: 7.16 HE2 :: 7.16 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 :: 119.20 Ave N Shift Values>> N :: 120.69(4.18) H94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 K 0.14 W 0.13 Q 0.13 I 0.12 E 0.1 H 0.1 L 0.05 M 0.01 HN Overlap>> N6 H36 C Shift Assignments>> C :: 177.1 CA :: 58.61 CB :: 28.04 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 :: 8.22 HA :: 4.45 HB2 :: 3.36 HB3 :: 3.36 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.04 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 W 0.14 R 0.14 Q 0.14 E 0.12 H 0.11 I 0.1 L 0.04 M 0.01 C Shift Assignments>> C :: 177.5 CA :: 58.39 CB :: 28.37 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 :: 8.22 HA :: 4.42 HB2 :: 3.28 HB3 :: 3.43 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.22 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.08 C Shift Assignments>> C :: 178.7 CA :: 58.12 CB :: 41.54 CG :: 26.70 CD1 :: 25.71 CD2 :: 23.55 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 :: 8.46 HA :: 3.95 HB2 :: 1.19 HB3 :: 1.82 HG :: 1.80 HD1 :: 0.54 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 :: 119.73 Ave N Shift Values>> N :: 121.98(4.07) E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 K 0.27 Q 0.25 I 0.11 R 0.03 M 0.02 C Shift Assignments>> C :: 178.8 CA :: 59.08 CB :: 28.53 CG :: 34.81 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 :: 8.19 HA :: 3.80 HB2 :: 2.01 HB3 :: 2.07 HG2 :: 2.33 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 :: 117.88 Ave N Shift Values>> N :: 120.68(3.68) E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 K 0.27 Q 0.27 I 0.05 M 0.04 R 0.03 C Shift Assignments>> C :: 177.8 CA :: 57.86 CB :: 28.94 CG :: 34.86 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 :: 7.40 HA :: 4.11 HB2 :: 2.10 HB3 :: 2.15 HG2 :: 2.33 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 :: 116.45 Ave N Shift Values>> N :: 120.68(3.68) L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 R 0.16 G 0.06 C Shift Assignments>> C :: 178.0 CA :: 55.80 CB :: 42.78 CG :: 26.68 CD1 :: 22.94 CD2 :: 25.77 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 :: 4.28 HB2 :: 1.94 HB3 :: 1.65 HG :: 1.76 HD1 :: 0.86 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 :: 118.24 Ave N Shift Values>> N :: 121.98(4.07) V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.8 CA :: 62.49 CB :: 32.3 CG1 :: 21.37 CG2 :: 21.37 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 :: 7.40 HA :: 4.06 HB :: 2.11 HG1 :: 0.81 HG2 :: 0.92 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.24 Ave N Shift Values>> N :: 121.02(4.96) H101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.18 K 0.16 W 0.12 E 0.12 R 0.11 M 0.04 L 0.03 I 0.01 C Shift Assignments>> C :: 173.7 CA :: 55.36 CB :: 29.16 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 :: 8.11 HA :: 4.75 HB2 :: 3.32 HB3 :: 3.24 HD2 :: 7.34 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 :: 121.93 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) R102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 K 0.47 G 0.01 C Shift Assignments>> C :: 181.0 CA :: 57.7 CB :: 31.2 CG :: 27.6 CD :: 42 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 :: 8.14 HA :: 4.22 HB2 :: 1.77 HB3 :: 1.90 HG2 :: 1.65 HG3 :: 1.65 HD2 :: 3.20 HD3 :: 3.10 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 :: 127.73 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) ########################################################################### Overall Results: #Consistent: 101 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 102 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 102 #Suspicious: 0 C Shift Results: #Consistent: 414 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 615 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 119 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: L30 HB2 = 0.30(S), Expected = 1.63, Std = 0.3400, ChiSquare = 9.1624e-05