S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 174.73 CA :: 61.97 CB :: 70.02 CG2 :: 21.65 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>> HA :: 4.48 HB :: 4.30 HG2 :: 1.27 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) L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.1 G 0.02 A 0.01 C Shift Assignments>> C :: 177.63 CA :: 55.77 CB :: 42.19 CG :: 27.09 CD1 :: 23.56 CD2 :: 24.82 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.44 HA :: 4.34 HB2 :: 1.66 HB3 :: 1.66 HG :: 1.68 HD1 :: 0.94 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 :: 125.75 Ave N Shift Values>> N :: 121.98(4.07) A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.26 C Shift Assignments>> C :: 177.93 CA :: 53.08 CB :: 19.09 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.28 HA :: 4.30 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 :: 125.35 Ave N Shift Values>> N :: 123.23(3.7) D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.22 K 0.16 F 0.11 Y 0.09 N 0.07 R 0.04 C Shift Assignments>> C :: 176.93 CA :: 54.92 CB :: 41.16 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 :: 8.17 HA :: 4.56 HB2 :: 2.74 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 :: 120.15 Ave N Shift Values>> N :: 120.73(4.2) Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.63 E 0.36 C Shift Assignments>> C :: 176.13 CA :: 56.41 CB :: 29.25 CG :: 33.95 CD :: 180.43 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 :: 8.21 HA :: 4.27 HB2 :: 2.05 HB3 :: 2.18 HG2 :: 2.43 HG3 :: 2.43 HE21 :: 6.79 HE22 :: 7.25 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.35 NE2 :: 112.15 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.24 C Shift Assignments>> C :: 177.83 CA :: 52.85 CB :: 19.02 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.19 HA :: 4.28 HB :: 1.41 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.75 Ave N Shift Values>> N :: 123.23(3.7) L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.09 G 0.02 A 0.02 C Shift Assignments>> C :: 177.33 CA :: 55.33 CB :: 42.24 CG :: 26.93 CD1 :: 23.42 CD2 :: 24.92 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 :: 7.98 HA :: 4.28 HB2 :: 1.47 HB3 :: 1.60 HG :: 1.58 HD1 :: 0.87 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 :: 121.05 Ave N Shift Values>> N :: 121.98(4.07) H9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.96 Y 0.01 F 0.01 C Shift Assignments>> CA :: 55.51 CB :: 30.02 CD2 :: 133.33(S) CE1 :: 137.73 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 :: 8.20 HA :: 4.69 HB2 :: 3.10 HB3 :: 3.23 HD2 :: 7.12 HE1 :: 8.14 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.85 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.34 C Shift Assignments>> C :: 174.63 CA :: 53.37 CB :: 38.85 CG :: 176.93 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 4.65 HB2 :: 2.65 HB3 :: 2.71 HD21 :: 6.90 HD22 :: 7.63 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>> ND2 :: 113.75 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.83 D 0.16 C Shift Assignments>> C :: 174.73 CA :: 52.58 CB :: 37.60 CG :: 176.93 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 :: 8.42 HA :: 4.26 HB2 :: 2.17 HB3 :: 2.48 HD21 :: 6.79 HD22 :: 7.25 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.45 ND2 :: 112.25 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 D 0.29 C Shift Assignments>> C :: 175.33 CA :: 53.49 CB :: 39.00 CG :: 176.03 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 :: 7.98 HA :: 4.98 HB2 :: 2.29 HB3 :: 2.76 HD21 :: 6.87 HD22 :: 7.20 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.43 ND2 :: 112.13 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 I 0.4 A 0.05 C Shift Assignments>> C :: 173.73 CA :: 59.25 CB :: 35.21 CG1 :: 22.54 CG2 :: 17.79 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 :: 9.15 HA :: 4.60 HB :: 2.29 HG1 :: 0.84 HG2 :: 0.73 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 :: 116.75 Ave N Shift Values>> N :: 121.02(4.96) G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.21 R 0.16 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.58 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.23 HA2 :: 3.86 HA3 :: 4.60 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.45 Ave N Shift Values>> N :: 109.91(4.29) P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.95 G 0.04 C Shift Assignments>> C :: 173.43 CA :: 62.33 CB :: 34.29 CG :: 25.46 CD :: 49.10 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 HB2 :: 1.82 HB3 :: 1.94 HG2 :: 1.60 HG3 :: 1.82 HD2 :: 3.60 HD3 :: 3.60 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) I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> E75 C Shift Assignments>> C :: 175.33 CA :: 61.67 CB :: 37.32 CG1 :: 28.74 CG2 :: 19.27 CD1 :: 13.46 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 :: 4.82 HB :: 1.62 HG2 :: 0.61 HG12 :: 0.80 HG13 :: 1.43 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 :: 119.85 Ave N Shift Values>> N :: 121.6(4.72) I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 A 0.02 C Shift Assignments>> C :: 175.53 CA :: 58.49 CB :: 40.82 CG1 :: 27.41 CG2 :: 17.30 CD1 :: 13.48 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.00 HA :: 5.03 HB :: 1.83 HG2 :: 1.08 HG12 :: 1.38 HG13 :: 1.53 HD1 :: 0.81 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 :: 126.65 Ave N Shift Values>> N :: 121.6(4.72) R18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 R 0.1 C Shift Assignments>> C :: 174.63 CA :: 57.61 CB :: 36.87(S) CG :: 28.49 CD :: 43.50 CZ :: 158.85 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 :: 8.71 HA :: 4.29 HB2 :: 1.99 HB3 :: 1.99 HG2 :: 1.85 HG3 :: 1.85 HD2 :: 3.38 HD3 :: 3.38 HE :: 7.76 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 :: 126.05 NE :: 85.02 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.29 C Shift Assignments>> C :: 177.03 CA :: 53.20 CB :: 18.48 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.52 HA :: 4.01 HB :: 1.31 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.45 Ave N Shift Values>> N :: 123.23(3.7) G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 R 0.04 C Shift Assignments>> C :: 174.83 CA :: 45.26 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.89 HA2 :: 3.86 HA3 :: 4.60 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.65 Ave N Shift Values>> N :: 109.91(4.29) D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 L 0.18 K 0.17 D 0.17 Y 0.16 N 0.03 R 0.03 I 0.02 C Shift Assignments>> C :: 176.75 CA :: 56.46 CB :: 40.90 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 :: 8.65 HA :: 4.39 HB2 :: 2.71 HB3 :: 2.78 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 :: 120.45 Ave N Shift Values>> N :: 120.73(4.2) L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 R 0.19 G 0.04 HN Overlap>> I87 C Shift Assignments>> C :: 177.33 CA :: 55.10 CB :: 42.58 CG :: 27.59 CD1 :: 24.14 CD2 :: 25.20 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 :: 8.37 HA :: 4.39 HB2 :: 1.79 HB3 :: 1.59 HG :: 1.84 HD1 :: 0.90 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 :: 118.65 Ave N Shift Values>> N :: 121.98(4.07) V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.53 CA :: 68.79 CB :: 31.80 CG1 :: 22.02 CG2 :: 24.15 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 :: 7.23 HA :: 3.27 HB :: 2.23 HG1 :: 0.97 HG2 :: 1.13 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 :: 118.95 Ave N Shift Values>> N :: 121.02(4.96) E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 E 0.06 K 0.02 P 0.01 C Shift Assignments>> CA :: 61.63 CB :: 26.50 CG :: 36.64 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 :: 8.82 HA :: 4.22 HB2 :: 2.16 HB3 :: 2.16 HG2 :: 2.32 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 :: 118.02 Ave N Shift Values>> N :: 120.68(3.68) P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.73 CA :: 66.28 CB :: 31.23 CG :: 28.23 CD :: 49.71 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 :: 4.42 HB2 :: 1.59 HB3 :: 2.00 HG2 :: 2.07 HG3 :: 2.23 HD2 :: 3.63 HD3 :: 3.77 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) V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.73 CA :: 67.87 CB :: 30.32 CG1 :: 22.36 CG2 :: 25.34 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 :: 8.09 HA :: 3.54 HB :: 2.34 HG1 :: 0.87 HG2 :: 1.01 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 :: 122.05 Ave N Shift Values>> N :: 121.02(4.96) I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.03 CA :: 67.29 CB :: 38.30 CG1 :: 29.67 CG2 :: 16.62 CD1 :: 15.66 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 :: 8.52 HA :: 3.39 HB :: 2.00 HG2 :: 0.88 HG12 :: 0.72 HG13 :: 0.72 HD1 :: 0.86 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 :: 124.15 Ave N Shift Values>> N :: 121.6(4.72) E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 K 0.18 I 0.16 Q 0.13 M 0.05 C Shift Assignments>> C :: 179.73 CA :: 59.05 CB :: 29.47 CG :: 35.55 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 :: 8.24 HA :: 4.05 HB2 :: 1.96 HB3 :: 2.09 HG2 :: 2.36 HG3 :: 2.48 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 :: 117.75 Ave N Shift Values>> N :: 120.68(3.68) T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.23 CA :: 67.18 CB :: 66.87 CG2 :: 21.88 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 :: 8.11 HA :: 3.81 HB :: 4.28 HG2 :: 1.34 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 :: 117.35 Ave N Shift Values>> N :: 115.7(5.05) A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.38 I 0.03 C Shift Assignments>> C :: 179.93 CA :: 54.83 CB :: 17.63 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.87 HA :: 3.86 HB :: 1.51 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.75 Ave N Shift Values>> N :: 123.23(3.7) E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.29 K 0.1 M 0.04 Q 0.03 C Shift Assignments>> C :: 179.53 CA :: 59.30 CB :: 29.63 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 :: 7.93 HA :: 4.16 HB2 :: 2.32 HB3 :: 2.10 HG2 :: 2.24 HG3 :: 2.60 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 :: 117.05 Ave N Shift Values>> N :: 120.68(3.68) I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.33 CA :: 64.98 CB :: 39.45 CG1 :: 29.68 CG2 :: 17.32 CD1 :: 14.29 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 :: 8.09 HA :: 3.66 HB :: 1.77 HG2 :: 1.02 HG12 :: 1.85 HG13 :: 1.85 HD1 :: 0.81 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 :: 121.75 Ave N Shift Values>> N :: 121.6(4.72) D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.2 K 0.16 F 0.14 Y 0.12 N 0.06 R 0.03 I 0.01 C Shift Assignments>> C :: 175.63 CA :: 55.55 CB :: 40.99 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 :: 9.07 HA :: 4.73 HB2 :: 3.00 HB3 :: 2.75 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 :: 117.35 Ave N Shift Values>> N :: 120.73(4.2) N34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> D 0.77 N 0.22 C Shift Assignments>> CA :: 51.23 CB :: 39.65 CG :: 179.43 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 :: 7.04 HA :: 5.33 HB2 :: 2.29 HB3 :: 3.10 HD21 :: 9.30(S) HD22 :: 9.50(S) 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 :: 116.75 ND2 :: 122.05(S) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.73 CA :: 63.98 CB :: 31.80 CG :: 27.56 CD :: 50.49 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 :: 4.56 HB2 :: 2.08 HB3 :: 2.39 HG2 :: 2.11 HG3 :: 2.11 HD2 :: 3.63 HD3 :: 3.63 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) G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 173.93 CA :: 45.54 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.97 HA2 :: 3.93 HA3 :: 4.13 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.55 Ave N Shift Values>> N :: 109.91(4.29) K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.26 M 0.05 G 0.04 C Shift Assignments>> C :: 175.53 CA :: 54.37 CB :: 33.86 CG :: 24.61 CD :: 29.38 CE :: 42.56 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 :: 7.68 HA :: 4.70 HB2 :: 1.90 HB3 :: 1.90 HG2 :: 1.47 HG3 :: 1.58 HD2 :: 1.88 HD3 :: 1.96 HE2 :: 3.33 HE3 :: 3.33 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 :: 120.15 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 K 0.15 M 0.13 Q 0.08 I 0.06 C Shift Assignments>> C :: 176.03 CA :: 56.20 CB :: 29.96 CG :: 36.22 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 :: 8.30 HA :: 4.43 HB2 :: 2.02 HB3 :: 2.30 HG2 :: 2.21 HG3 :: 2.30 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.25 Ave N Shift Values>> N :: 120.68(3.68) I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 A 0.07 C Shift Assignments>> C :: 176.93 CA :: 58.26 CB :: 36.73 CG1 :: 27.07 CG2 :: 17.72 CD1 :: 10.49 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 :: 8.98 HA :: 4.80 HB :: 2.15 HG2 :: 0.80 HG12 :: 1.19 HG13 :: 1.76 HD1 :: 0.73 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 :: 130.35 Ave N Shift Values>> N :: 121.6(4.72) T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.93 CA :: 62.25 CB :: 70.24 CG2 :: 21.03 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 :: 9.49 HA :: 4.47 HB :: 3.94 HG2 :: 1.11 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 :: 126.35 Ave N Shift Values>> N :: 115.7(5.05) V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.73 CA :: 61.08 CB :: 34.29 CG1 :: 21.57 CG2 :: 21.57 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 :: 8.53 HA :: 4.85 HB :: 1.95 HG1 :: 0.80 HG2 :: 0.93 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 :: 127.25 Ave N Shift Values>> N :: 121.02(4.96) E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 E 0.39 Q 0.04 K 0.01 C Shift Assignments>> C :: 174.13 CA :: 54.48 CB :: 32.49 CG :: 36.15 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 :: 9.27 HA :: 4.69 HB2 :: 2.04 HB3 :: 1.86 HG2 :: 1.97 HG3 :: 2.27 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 130.05 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>> D 0.29 L 0.22 K 0.15 F 0.1 N 0.09 Y 0.08 R 0.04 C Shift Assignments>> C :: 176.33 CA :: 54.58 CB :: 41.21 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 :: 9.14 HA :: 4.69 HB2 :: 2.98 HB3 :: 2.53 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 :: 128.75 Ave N Shift Values>> N :: 120.73(4.2) R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 L 0.18 K 0.18 G 0.1 C Shift Assignments>> C :: 177.33 CA :: 54.39 CB :: 29.09 CG :: 26.73 CD :: 43.23 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 :: 8.50 HA :: 4.71 HB2 :: 2.03 HB3 :: 1.20 HG2 :: 1.58 HG3 :: 1.58 HD2 :: 3.07 HD3 :: 3.21 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 :: 128.45 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 G 0.23 L 0.17 K 0.14 C Shift Assignments>> C :: 176.33 CA :: 60.99 CB :: 27.55 CG :: 27.13 CD :: 43.04 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 :: 9.04 HA :: 3.80 HB2 :: 2.24 HB3 :: 2.12 HG2 :: 1.58 HG3 :: 1.62 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 :: 118.35 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.32 L 0.01 C Shift Assignments>> C :: 176.93 CA :: 53.72 CB :: 19.44 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.38 HA :: 4.18 HB :: 1.34 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.05 Ave N Shift Values>> N :: 123.23(3.7) Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 G 0.01 C Shift Assignments>> C :: 173.03 CA :: 54.94 CB :: 41.55 CD1 :: 133.63 CD2 :: 133.63 CE1 :: 118.03 CE2 :: 118.03 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 :: 7.05 HA :: 5.18 HB2 :: 2.50 HB3 :: 2.94 HD1 :: 6.80 HD2 :: 6.80 HE1 :: 6.76 HE2 :: 6.76 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 113.65 Ave N Shift Values>> N :: 120.79(4.69) V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.13 CA :: 61.55 CB :: 35.08 CG1 :: 21.56 CG2 :: 21.56 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 :: 9.32 HA :: 4.72 HB :: 1.83 HG1 :: 0.79 HG2 :: 0.96 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 :: 121.05 Ave N Shift Values>> N :: 121.02(4.96) R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 G 0.21 C Shift Assignments>> C :: 174.03 CA :: 55.21 CB :: 33.01 CG :: 27.38 CD :: 43.52 CZ :: 159.53 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 :: 9.00 HA :: 4.82 HB2 :: 1.50 HB3 :: 2.00 HG2 :: 1.15 HG3 :: 1.47 HD2 :: 3.03 HD3 :: 3.13 HE :: 7.39 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 :: 129.45 NE :: 84.97 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.43 CA :: 60.54 CB :: 40.60 CG1 :: 28.69 CG2 :: 18.12 CD1 :: 16.20 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 :: 8.27 HA :: 4.86 HB :: 1.52 HG2 :: 0.71 HG12 :: 0.96 HG13 :: 0.96 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 :: 129.75 Ave N Shift Values>> N :: 121.6(4.72) A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 P 0.19 A 0.1 K 0.09 M 0.06 R 0.02 C Shift Assignments>> C :: 174.93 CA :: 50.27 CB :: 23.83 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.99 HA :: 5.42 HB :: 0.99 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.15 Ave N Shift Values>> N :: 123.23(3.7) A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 P 0.23 K 0.11 A 0.05 M 0.05 R 0.03 C Shift Assignments>> C :: 175.93 CA :: 50.59 CB :: 24.10 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.71 HA :: 4.83 HB :: 1.48 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.15 Ave N Shift Values>> N :: 123.23(3.7) E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.14 K 0.12 M 0.09 Q 0.05 C Shift Assignments>> C :: 179.13 CA :: 57.47 CB :: 29.92 CG :: 36.47 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.07 HA :: 4.24 HB2 :: 2.05 HB3 :: 2.05 HG2 :: 2.19 HG3 :: 2.36 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 :: 121.75 Ave N Shift Values>> N :: 120.68(3.68) G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.71 A 0.13 N 0.07 D 0.02 G 0.01 C Shift Assignments>> C :: 174.23 CA :: 49.17 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.04 HA2 :: 3.65 HA3 :: 4.59 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.65 Ave N Shift Values>> N :: 109.91(4.29) E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 M 0.46 I 0.03 C Shift Assignments>> C :: 173.03 CA :: 56.03 CB :: 33.74 CG :: 37.35 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.42 HA :: 5.31 HB2 :: 2.07 HB3 :: 2.24 HG2 :: 2.28 HG3 :: 2.28 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.75 Ave N Shift Values>> N :: 120.68(3.68) L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.25 R 0.02 C Shift Assignments>> C :: 175.02 CA :: 55.76 CB :: 46.47 CG :: 28.19 CD1 :: 26.11 CD2 :: 26.11 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 :: 8.96 HA :: 4.56 HB2 :: 1.62 HB3 :: 1.75 HG :: 1.60 HD1 :: 0.83 HD2 :: 0.95 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 :: 125.15 Ave N Shift Values>> N :: 121.98(4.07) I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.43 CA :: 60.53 CB :: 40.90 CG1 :: 29.00 CG2 :: 18.38 CD1 :: 13.68 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.88 HA :: 4.99 HB :: 1.79 HG2 :: 0.88 HG12 :: 1.59 HG13 :: 1.59 HD1 :: 1.04 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 :: 130.03 Ave N Shift Values>> N :: 121.6(4.72) L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 G 0.38 R 0.03 C Shift Assignments>> C :: 175.53 CA :: 53.88 CB :: 44.46 CG :: 27.36 CD1 :: 24.66 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 :: 8.87 HA :: 4.83 HB2 :: 2.02 HB3 :: 1.18 HG :: 1.78 HD1 :: 1.00 HD2 :: 1.00 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.85 Ave N Shift Values>> N :: 121.98(4.07) T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.83 CA :: 60.74 CB :: 70.97 CG2 :: 21.65 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 :: 9.29 HA :: 4.89 HB :: 4.62 HG2 :: 1.30 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 :: 116.15 Ave N Shift Values>> N :: 115.7(5.05) R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 G 0.25 C Shift Assignments>> C :: 177.73 CA :: 59.89 CB :: 30.82 CG :: 27.29 CD :: 43.83 CZ :: 159.35 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 :: 8.64 HA :: 4.03 HB2 :: 2.04 HB3 :: 2.04 HG2 :: 1.84 HG3 :: 1.84 HD2 :: 3.52 HD3 :: 3.80 HE :: 7.54 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 :: 124.75 NE :: 83.82 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.26 M 0.03 G 0.02 C Shift Assignments>> C :: 178.93 CA :: 59.75 CB :: 32.59 CG :: 24.64 CD :: 29.45 CE :: 42.35 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 :: 8.77 HA :: 4.09 HB2 :: 1.89 HB3 :: 1.94 HG2 :: 1.48 HG3 :: 1.57 HD2 :: 1.78 HD3 :: 1.78 HE2 :: 3.07 HE3 :: 3.07 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 :: 118.65 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 S 0.05 C Shift Assignments>> C :: 176.43 CA :: 65.77 CB :: 67.10 CG2 :: 25.49 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 :: 7.89 HA :: 4.02 HB :: 4.53 HG2 :: 1.36 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.35 Ave N Shift Values>> N :: 115.7(5.05) L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.11 C Shift Assignments>> C :: 179.03 CA :: 59.16 CB :: 41.45 CG :: 27.51 CD1 :: 25.06 CD2 :: 25.06 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 :: 3.88 HB2 :: 0.91 HB3 :: 1.71 HG :: 1.55 HD1 :: 0.40 HD2 :: 0.62 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 :: 125.45 Ave N Shift Values>> N :: 121.98(4.07) E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 E 0.3 M 0.01 K 0.01 C Shift Assignments>> C :: 180.73 CA :: 60.17 CB :: 30.15 CG :: 38.12 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 :: 8.92 HA :: 4.15 HB2 :: 2.31 HB3 :: 2.06 HG2 :: 2.55 HG3 :: 2.91 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 :: 118.65 Ave N Shift Values>> N :: 120.68(3.68) E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.34 K 0.1 Q 0.03 M 0.02 C Shift Assignments>> C :: 179.33 CA :: 59.41 CB :: 29.24 CG :: 36.47 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 :: 7.85 HA :: 4.05 HB2 :: 2.16 HB3 :: 2.41 HG2 :: 2.34 HG3 :: 2.58 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 :: 122.05 Ave N Shift Values>> N :: 120.68(3.68) Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.78 E 0.2 N 0.01 C Shift Assignments>> C :: 178.63 CA :: 57.18 CB :: 28.46 CG :: 34.27 CD :: 178.23 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 :: 8.49 HA :: 4.03 HB2 :: 2.04 HB3 :: 2.24 HG2 :: 2.27 HG3 :: 2.69 HE21 :: 6.86 HE22 :: 7.45 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 :: 118.35 NE2 :: 114.05 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 G 0.23 R 0.07 C Shift Assignments>> C :: 178.73 CA :: 56.24 CB :: 43.95 CG :: 27.09 CD1 :: 24.43 CD2 :: 24.43 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 :: 8.78 HA :: 4.20 HB2 :: 1.89 HB3 :: 1.49 HG :: 1.53 HD1 :: 0.51 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 :: 119.85 Ave N Shift Values>> N :: 121.98(4.07) G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 HN Overlap>> S82 C Shift Assignments>> C :: 173.33 CA :: 46.13 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.18 HA2 :: 3.86 HA3 :: 4.06 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.15 Ave N Shift Values>> N :: 109.91(4.29) R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 R 0.42 C Shift Assignments>> CA :: 53.32 CB :: 29.00 CG :: 25.29 CD :: 43.90 CZ :: 160.13 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 :: 7.66 HA :: 4.90 HB2 :: 1.83 HB3 :: 2.09 HG2 :: 1.43 HG3 :: 1.57 HD2 :: 3.11 HD3 :: 3.26 HE :: 7.39 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 :: 116.15 NE :: 86.46 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.53 CA :: 63.07 CB :: 32.10 CG :: 27.94 CD :: 50.66 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 :: 4.39 HB2 :: 1.82 HB3 :: 2.38 HG2 :: 1.96 HG3 :: 2.11 HD2 :: 3.59 HD3 :: 3.83 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) F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 G 0.29 C Shift Assignments>> C :: 172.53 CA :: 57.65 CB :: 43.68 CD1 :: 132.23 CD2 :: 132.23 CE1 :: 131.33 CE2 :: 131.33 CZ :: 128.73 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 :: 9.58 HA :: 4.80 HB2 :: 2.86 HB3 :: 2.92 HD1 :: 7.05 HD2 :: 7.05 HE1 :: 7.20 HE2 :: 7.20 HZ :: 6.98 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 :: 127.25 Ave N Shift Values>> N :: 120.69(4.18) N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.44 C Shift Assignments>> C :: 175.03 CA :: 51.46 CB :: 40.77 CG :: 176.73 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 :: 8.00 HA :: 4.75 HB2 :: 2.77 HB3 :: 2.65 HD21 :: 6.95 HD22 :: 7.65 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 :: 126.65 ND2 :: 114.65 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) M73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 Q 0.33 E 0.15 K 0.14 R 0.01 C Shift Assignments>> C :: 178.53 CA :: 57.05 CB :: 31.46 CG :: 33.37 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 :: 9.12 HA :: 4.31 HB2 :: 2.12 HB3 :: 2.12 HG2 :: 2.72 HG3 :: 2.77 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 :: 123.25 Ave N Shift Values>> N :: 120.1(3.88) Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.6 E 0.39 C Shift Assignments>> C :: 177.73 CA :: 59.03 CB :: 28.12 CG :: 34.28 CD :: 180.43 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 :: 8.67 HA :: 4.12 HB2 :: 2.02 HB3 :: 2.02 HG2 :: 2.43 HG3 :: 2.43 HE21 :: 6.80 HE22 :: 7.53 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.05 NE2 :: 113.05 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.36 K 0.08 M 0.02 Q 0.01 HN Overlap>> I16 C Shift Assignments>> C :: 179.03 CA :: 58.95 CB :: 29.30 CG :: 36.91 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 :: 8.05 HA :: 3.96 HB2 :: 1.92 HB3 :: 1.92 HG2 :: 2.18 HG3 :: 2.29 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.83 Ave N Shift Values>> N :: 120.68(3.68) L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 R 0.3 K 0.04 G 0.01 C Shift Assignments>> C :: 178.33 CA :: 57.76 CB :: 41.85 CG :: 27.91 CD1 :: 26.13 CD2 :: 24.37 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.31 HA :: 4.28 HB2 :: 2.29 HB3 :: 1.74 HG :: 1.73 HD1 :: 1.04 HD2 :: 1.04 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 :: 119.85 Ave N Shift Values>> N :: 121.98(4.07) E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 E 0.39 K 0.04 M 0.02 C Shift Assignments>> C :: 179.73 CA :: 60.65 CB :: 29.76 CG :: 36.76 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 :: 7.79 HA :: 3.82 HB2 :: 2.17 HB3 :: 2.17 HG2 :: 2.12 HG3 :: 2.32 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 :: 118.95 Ave N Shift Values>> N :: 120.68(3.68) I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.63 CA :: 63.49 CB :: 38.25 CG1 :: 28.09 CG2 :: 17.55 CD1 :: 13.74 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 :: 7.94 HA :: 4.19 HB :: 2.06 HG2 :: 1.05 HG12 :: 1.45 HG13 :: 1.60 HD1 :: 0.92 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 :: 115.85 Ave N Shift Values>> N :: 121.6(4.72) N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.74 N 0.24 C Shift Assignments>> C :: 173.43 CA :: 54.60 CB :: 41.54 CG :: 177.63 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 :: 7.58 HA :: 4.81 HB2 :: 2.75 HB3 :: 3.06 HD21 :: 7.73 HD22 :: 7.98 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 :: 118.95 ND2 :: 118.85 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 R 0.01 C Shift Assignments>> C :: 175.93 CA :: 54.96 CB :: 41.27 CG :: 25.98 CD1 :: 25.01 CD2 :: 25.01 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 :: 7.64 HA :: 4.74 HB2 :: 1.93 HB3 :: 1.93 HG :: 1.07 HD1 :: 0.98 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 :: 122.65 Ave N Shift Values>> N :: 121.98(4.07) A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.38 L 0.02 V 0.01 C Shift Assignments>> C :: 178.13 CA :: 54.26 CB :: 19.71 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.96 HA :: 4.35 HB :: 1.28 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.55 Ave N Shift Values>> N :: 123.23(3.7) S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> G68 C Shift Assignments>> C :: 172.35 CA :: 56.77 CB :: 62.44 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.20 HA :: 4.37 HB2 :: 3.64 HB3 :: 3.97 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 108.15 Ave N Shift Values>> N :: 116.3(3.95) F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 172.43 CA :: 57.05 CB :: 41.38 CD1 :: 132.53 CD2 :: 132.53 CE1 :: 132.13 CE2 :: 132.13 CZ :: 130.63 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 :: 8.07 HA :: 4.96 HB2 :: 2.89 HB3 :: 3.46 HD1 :: 6.99 HD2 :: 6.99 HE1 :: 7.48 HE2 :: 7.48 HZ :: 7.40 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 :: 113.65 Ave N Shift Values>> N :: 120.69(4.18) A84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 L 0.21 M 0.13 K 0.01 C Shift Assignments>> C :: 177.33 CA :: 50.92 CB :: 21.93 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.92 HA :: 4.92 HB :: 1.54 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.35 Ave N Shift Values>> N :: 123.23(3.7) G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.29 G 0.25 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.53 CA :: 43.96 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.50 HA2 :: 3.81 HA3 :: 4.42 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.35 Ave N Shift Values>> N :: 109.91(4.29) Q86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.6 E 0.39 C Shift Assignments>> C :: 174.63 CA :: 54.32 CB :: 29.70 CG :: 34.48 CD :: 180.53 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 :: 8.55 HA :: 4.61 HB2 :: 0.73(S) HB3 :: 1.60 HG2 :: 2.21 HG3 :: 2.27 HE21 :: 6.93 HE22 :: 7.49 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 :: 114.05 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 G 0.02 HN Overlap>> L22 C Shift Assignments>> C :: 175.63 CA :: 59.29 CB :: 41.93 CG1 :: 27.75 CG2 :: 16.48 CD1 :: 12.90 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 :: 8.28 HA :: 5.00 HB :: 0.90 HG2 :: 0.48 HG12 :: 0.34 HG13 :: 0.67 HD1 :: 0.05 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.65 Ave N Shift Values>> N :: 121.6(4.72) Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.72 E 0.27 C Shift Assignments>> C :: 173.83 CA :: 55.49 CB :: 30.99 CG :: 33.62 CD :: 180.03 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 :: 8.86 HA :: 4.59 HB2 :: 2.06 HB3 :: 2.06 HG2 :: 2.36 HG3 :: 2.36 HE21 :: 6.74 HE22 :: 7.63 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 :: 128.53 NE2 :: 113.43 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 L 0.23 M 0.15 K 0.01 C Shift Assignments>> C :: 175.33 CA :: 51.31 CB :: 21.93 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.11 HA :: 5.10 HB :: 1.28 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 132.55 Ave N Shift Values>> N :: 123.23(3.7) D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.25 R 0.15 K 0.12 N 0.05 F 0.04 Y 0.03 G 0.02 C Shift Assignments>> C :: 175.65 CA :: 53.39 CB :: 42.50 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 :: 8.78 HA :: 4.78 HB2 :: 2.86 HB3 :: 3.15 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.15 Ave N Shift Values>> N :: 120.73(4.2) E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.26 K 0.09 M 0.05 Q 0.02 C Shift Assignments>> C :: 177.33 CA :: 58.81 CB :: 29.85 CG :: 36.60 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 :: 8.62 HA :: 4.15 HB2 :: 2.05 HB3 :: 2.12 HG2 :: 2.39 HG3 :: 2.39 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 :: 116.15 Ave N Shift Values>> N :: 120.68(3.68) D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.28 D 0.11 K 0.1 F 0.05 G 0.04 Y 0.04 C Shift Assignments>> C :: 177.13 CA :: 55.24 CB :: 43.18 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 :: 9.08 HA :: 5.01 HB2 :: 2.75 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 :: 117.05 Ave N Shift Values>> N :: 120.73(4.2) Q93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.84 E 0.15 C Shift Assignments>> C :: 172.13 CA :: 55.90 CB :: 31.06 CG :: 32.20 CD :: 180.23 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 :: 8.39 HA :: 5.16 HB2 :: 1.80 HB3 :: 2.42 HG2 :: 2.04 HG3 :: 2.40 HE21 :: 6.50 HE22 :: 7.48 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.45 NE2 :: 111.55 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 C Shift Assignments>> C :: 171.93 CA :: 60.67 CB :: 41.52 CG1 :: 28.20 CG2 :: 17.99 CD1 :: 14.38 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 :: 8.83 HA :: 4.68 HB :: 1.54 HG2 :: 0.59 HG12 :: 0.69 HG13 :: 0.69 HD1 :: 0.78 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 :: 120.15 Ave N Shift Values>> N :: 121.6(4.72) R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 G 0.26 R 0.18 C Shift Assignments>> C :: 173.63 CA :: 53.96 CB :: 34.35 CG :: 29.54 CD :: 43.27 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 :: 8.54 HA :: 5.14 HB2 :: 1.55 HB3 :: 1.88 HG2 :: 1.32 HG3 :: 1.50 HD2 :: 2.95 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 :: 127.85 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 F 0.46 C Shift Assignments>> C :: 176.13 CA :: 55.52 CB :: 40.31 CD1 :: 130.43 CD2 :: 130.43 CE1 :: 132.13 CE2 :: 132.13 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 :: 9.19 HA :: 5.74 HB2 :: 3.04 HB3 :: 3.18 HD1 :: 7.27 HD2 :: 7.27 HE1 :: 6.87 HE2 :: 6.87 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 :: 126.35 Ave N Shift Values>> N :: 120.69(4.18) Y97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 172.83 CA :: 56.67 CB :: 40.61 CD1 :: 133.83 CD2 :: 133.83 CE1 :: 117.73 CE2 :: 117.73 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 :: 9.29 HA :: 5.63 HB2 :: 3.01 HB3 :: 3.13 HD1 :: 6.75 HD2 :: 6.75 HE1 :: 6.53 HE2 :: 6.53 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 :: 119.25 Ave N Shift Values>> N :: 120.79(4.69) F98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 Y 0.44 C Shift Assignments>> C :: 174.83 CA :: 57.85 CB :: 40.96 CD1 :: 132.73 CD2 :: 132.73 CE1 :: 131.33 CE2 :: 131.33 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 :: 8.56 HA :: 4.70 HB2 :: 3.09 HB3 :: 3.23 HD1 :: 7.27 HD2 :: 7.27 HE1 :: 7.36 HE2 :: 7.36 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.65 Ave N Shift Values>> N :: 120.69(4.18) D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.25 K 0.14 R 0.13 F 0.05 N 0.05 Y 0.04 G 0.01 C Shift Assignments>> C :: 175.33 CA :: 53.66 CB :: 42.34 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 :: 8.41 HA :: 4.68 HB2 :: 2.52 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 :: 127.55 Ave N Shift Values>> N :: 120.73(4.2) K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.27 M 0.07 G 0.01 C Shift Assignments>> C :: 176.53 CA :: 56.76 CB :: 32.94 CG :: 24.65 CD :: 29.54 CE :: 42.09 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 :: 8.15 HA :: 4.28 HB2 :: 1.84 HB3 :: 1.92 HG2 :: 1.51 HG3 :: 1.51 HD2 :: 1.79 HD3 :: 1.79 HE2 :: 3.09 HE3 :: 3.09 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 :: 124.15 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.93 CA :: 62.39 CB :: 69.65 CG2 :: 21.76 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 :: 8.44 HA :: 4.36 HB :: 4.30 HG2 :: 1.27 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 :: 116.15 Ave N Shift Values>> N :: 115.7(5.05) M102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 K 0.22 M 0.22 E 0.12 V 0.04 R 0.04 H 0.04 Y 0.02 C Shift Assignments>> CA :: 57.22 CB :: 34.11 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 :: 7.80 HA :: 4.33 HB2 :: 1.98 HB3 :: 2.13 HG2 :: 2.55 HG3 :: 2.55 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 :: 128.55 Ave N Shift Values>> N :: 120.1(3.88) ########################################################################### Overall Results: #Consistent: 98 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 101 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 102 #Suspicious: 0 C Shift Results: #Consistent: 456 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 599 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 110 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: H9 CD2 = 133.33(S), Expected = 119.84, Std = 3.3000, ChiSquare = 4.3534e-05 R18 CB = 36.87(S), Expected = 30.66, Std = 1.7700, ChiSquare = 4.5068e-04 N34 HD21 = 9.30(S), Expected = 7.27, Std = 0.5200, ChiSquare = 9.4676e-05 N34 HD22 = 9.50(S), Expected = 7.20, Std = 0.5200, ChiSquare = 9.7305e-06 N34 ND2 = 122.05(S), Expected = 112.83, Std = 2.6000, ChiSquare = 3.9090e-04 Q86 HB2 = 0.73(S), Expected = 2.05, Std = 0.2800, ChiSquare = 2.4256e-06