Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.Q1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> Q 0.15 K 0.14 H 0.13 W 0.13 E 0.12 C 0.11 R 0.11 M 0.03 I 0.01 L 0.01 C Shift Assignments>> CA :: 56.44 CB :: 29.25 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T56 1.D184 1.T56 1.D184 C Shift Assignments>> C :: 174.52 CA :: 58.31 CB :: 63.94 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.90 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.25 Ave N Shift Values>> N :: 116.28(3.52) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 C 0.35 R 0.05 C Shift Assignments>> C :: 175.77 CA :: 54.66 CB :: 32.71 CG :: 25.07 CD :: 29.13 CE :: 41.47 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.02 HA :: 4.02 HB2 :: 1.71 HB3 :: 1.71 HG2 :: 1.17 HG3 :: 1.20 HD2 :: 1.45 HD3 :: 1.45 HE2 :: 2.79 HE3 :: 2.79 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.48 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.42 HN Overlap>> 1.K174 1.K174 C Shift Assignments>> C :: 175.06 CA :: 59.85 CB :: 33.03 CG1 :: 22.67 CG2 :: 22.67 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.72 HA :: 4.14 HB :: 1.88 HG11 :: 0.84 HG12 :: 0.84 HG13 :: 0.84 HG21 :: 0.84 HG22 :: 0.84 HG23 :: 0.84 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.68 Ave N Shift Values>> N :: 121.14(4.54) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.27 A 0.03 HN Overlap>> 1.F66 1.F66 C Shift Assignments>> CA :: 57.88 CB :: 32.56 CG1 :: 20.19 CG2 :: 22.36 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.83 HA :: 4.19 HB :: 1.93 HG11 :: 0.86 HG12 :: 0.86 HG13 :: 0.86 HG21 :: 0.86 HG22 :: 0.86 HG23 :: 0.86 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.71 Ave N Shift Values>> N :: 121.14(4.54) 1.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.49 C 0.49 C Shift Assignments>> C :: 178.98 CA :: 62.09 CB :: 31.55 CG :: 28.34 CD :: 49.17 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.23 HB2 :: 1.60 HB3 :: 2.18 HG2 :: 1.79 HG3 :: 1.86 HD2 :: 3.23 HD3 :: 3.66 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.8 I 0.18 M 0.01 C Shift Assignments>> C :: 177.92 CA :: 63.29 CB :: 37.31 CG1 :: 32.37 CG2 :: 18.39 CD1 :: 15.21 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 10.70(S) HA :: 2.96 HB :: 1.30 HG12 :: 0.29 HG13 :: 1.55 HG21 :: 0.18 HG22 :: 0.18 HG23 :: 0.18 HD11 :: 0.46 HD12 :: 0.46 HD13 :: 0.46 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 130.86 Ave N Shift Values>> N :: 121.46(4.28) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.03 C 0.02 L 0.02 C Shift Assignments>> C :: 177.93 CA :: 51.84 CB :: 20.18 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.72 HA :: 3.93 HB1 :: 1.19 HB2 :: 1.19 HB3 :: 1.19 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.26 Ave N Shift Values>> N :: 123.23(3.54) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.19 CA :: 56.56 CB :: 62.37 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.77 HA :: 4.26 HB2 :: 3.75 HB3 :: 3.75 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.08 Ave N Shift Values>> N :: 116.28(3.52) 1.L10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.56 C 0.22 A 0.2 C Shift Assignments>> C :: 176.38 CA :: 53.42 CB :: 41.18 CG :: 26.93 CD1 :: 22.26 CD2 :: 24.41 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.25 HA :: 3.73 HB2 :: 0.41(S) HB3 :: 1.23 HG :: 1.13 HD11 :: -0.51(S) HD12 :: -0.51(S) HD13 :: -0.51(S) HD21 :: -0.34(S) HD22 :: -0.34(S) HD23 :: -0.34(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.92 Ave N Shift Values>> N :: 121.86(3.9) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.65 C 0.33 C Shift Assignments>> CA :: 58.34 CB :: 70.06 CG2 :: 22.23 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.28 HA :: 3.90 HB :: 3.90 HG21 :: 0.99 HG22 :: 0.99 HG23 :: 0.99 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.94 Ave N Shift Values>> N :: 115.42(4.75) 1.P12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.66 P 0.33 C Shift Assignments>> C :: 175.63 CA :: 61.21 CB :: 31.79 CG :: 28.25 CD :: 49.06 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.00 HB2 :: 1.10 HB3 :: 1.94 HG2 :: 0.97 HG3 :: 1.45 HD2 :: 1.99(S) HD3 :: 2.91 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 175.21 CA :: 55.40 CB :: 37.27 CD1 :: 132.77 CD2 :: 132.77 CE1 :: 119.42 CE2 :: 119.42 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.14 HA :: 4.32 HB2 :: 2.57 HB3 :: 3.13 HD1 :: 6.97 HD2 :: 6.97 HE1 :: 6.71 HE2 :: 6.71 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.14 Ave N Shift Values>> N :: 120.52(4.2) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.24 K 0.2 M 0.18 E 0.04 R 0.01 C Shift Assignments>> CA :: 55.53 CB :: 30.22 CG :: 33.50 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.08 HA :: 4.42 HB2 :: 1.94 HB3 :: 1.94 HG2 :: 2.23 HG3 :: 2.23 HE21 :: 6.72 HE22 :: 7.29 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.35 NE2 :: 110.94 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.36 R 0.08 C Shift Assignments>> C :: 174.22 CA :: 54.91 CB :: 31.61 CG :: 25.36 CD :: 29.35 CE :: 41.49 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.99 HA :: 4.18 HB2 :: 1.59 HB3 :: 1.59 HG2 :: 1.23 HG3 :: 1.23 HD2 :: 1.48 HD3 :: 1.48 HE2 :: 2.74 HE3 :: 2.74 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.78 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 W 0.11 C Shift Assignments>> C :: 175.22 CA :: 53.52 CB :: 31.33 CD1 :: 128.92 CE3 :: 122.16 CZ2 :: 113.08 CZ3 :: 122.49 CH2 :: 127.46 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 6.86 HA :: 4.61 HB2 :: 2.80 HB3 :: 3.26 HD1 :: 6.77 HE1 :: 9.88 HE3 :: 6.83 HZ2 :: 6.78 HZ3 :: 7.11 HH2 :: 6.62 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.00 NE1 :: 130.61 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.61 C 0.38 C Shift Assignments>> C :: 172.72 CA :: 60.22 CB :: 68.76 CG2 :: 23.12 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.63 HA :: 5.17 HB :: 3.72 HG21 :: 1.10 HG22 :: 1.10 HG23 :: 1.10 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.49 Ave N Shift Values>> N :: 115.42(4.75) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 I 0.25 A 0.1 HN Overlap>> 1.V47 1.V47 C Shift Assignments>> C :: 174.52 CA :: 57.28 CB :: 40.51 CG1 :: 27.49 CG2 :: 19.10 CD1 :: 15.48 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.92 HA :: 5.18 HB :: 1.90 HG12 :: 1.36 HG13 :: 1.36 HG21 :: 0.72 HG22 :: 0.72 HG23 :: 0.72 HD11 :: 0.28 HD12 :: 0.28 HD13 :: 0.28 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.60 Ave N Shift Values>> N :: 121.46(4.28) 1.C20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.19 Y 0.17 F 0.12 N 0.11 M 0.06 I 0.03 D 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 172.88 CA :: 56.05 CB :: 37.29 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.19 HA :: 5.42 HB2 :: 2.55 HB3 :: 3.14 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.75 Ave N Shift Values>> N :: 120.17(4.64) 1.A21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.82 C 0.06 L 0.05 G 0.03 C Shift Assignments>> C :: 174.59 CA :: 49.07 CB :: 25.45(S) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.39 HA :: 5.01 HB1 :: 1.16 HB2 :: 1.16 HB3 :: 1.16 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.04 Ave N Shift Values>> N :: 123.23(3.54) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.32 R 0.31 C 0.3 G 0.05 C Shift Assignments>> C :: 175.72 CA :: 53.11 CB :: 32.05 CG :: 25.68 CD :: 42.74 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.14 HA :: 4.87 HB2 :: 1.46 HB3 :: 1.71 HG2 :: 1.21 HG3 :: 1.21 HD2 :: 2.93 HD3 :: 2.93 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.17 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 V 0.19 HN Overlap>> 1.N165 1.C143 1.N165 1.C143 C Shift Assignments>> C :: 174.38 CA :: 59.15 CB :: 31.83 CG1 :: 23.97 CG2 :: 22.47 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.38 HA :: 4.56 HB :: 2.49 HG11 :: 0.79 HG12 :: 0.79 HG13 :: 0.79 HG21 :: 1.16 HG22 :: 1.16 HG23 :: 1.16 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.79 Ave N Shift Values>> N :: 121.14(4.54) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 S 0.46 T 0.01 C Shift Assignments>> C :: 175.33 CA :: 59.98 CB :: 65.96 CG2 :: 23.99 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.97 HA :: 4.40 HB :: 4.09 HG21 :: 0.97 HG22 :: 0.97 HG23 :: 0.97 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.63 Ave N Shift Values>> N :: 115.42(4.75) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.2 N 0.18 K 0.07 C 0.05 F 0.05 Y 0.03 R 0.01 C Shift Assignments>> C :: 172.00 CA :: 52.37 CB :: 41.36 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.44 HA :: 4.51 HB2 :: 2.31 HB3 :: 2.54 HD21 :: 6.58 HD22 :: 7.49 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.50 ND2 :: 113.66 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.69 K 0.15 R 0.13 C Shift Assignments>> C :: 174.52 CA :: 53.55 CB :: 36.33 CG :: 25.39 CD :: 30.77 CE :: 41.29 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.14 HA :: 4.86 HB2 :: 1.17 HB3 :: 1.52 HG2 :: 1.53 HG3 :: 1.53 HD2 :: 0.99 HD3 :: 1.17 HE2 :: 1.88(S) HE3 :: 1.96(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.32 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.79 T 0.2 C Shift Assignments>> C :: 173.73 CA :: 59.28 CB :: 66.31 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.29 HA :: 4.47 HB2 :: 3.77 HB3 :: 3.77 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 125.41 Ave N Shift Values>> N :: 116.28(3.52) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 C 0.23 M 0.17 K 0.16 E 0.07 C Shift Assignments>> C :: 177.14 CA :: 53.34 CB :: 30.09 CG :: 34.13 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.13 HA :: 4.45 HB2 :: 1.82 HB3 :: 2.11 HG2 :: 2.38 HG3 :: 2.38 HE21 :: 6.86 HE22 :: 7.59 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.51 NE2 :: 113.73 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 I 0.48 HN Overlap>> 1.T177 1.T177 C Shift Assignments>> C :: 176.45 CA :: 60.38 CB :: 37.85 CG1 :: 29.50 CG2 :: 18.94 CD1 :: 14.49 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.41 HA :: 4.13 HB :: 1.19 HG12 :: -0.09(S) HG13 :: 0.53 HG21 :: 0.58 HG22 :: 0.58 HG23 :: 0.58 HD11 :: -0.20 HD12 :: -0.20 HD13 :: -0.20 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.15 Ave N Shift Values>> N :: 121.46(4.28) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.3 K 0.13 G 0.09 C Shift Assignments>> C :: 174.99 CA :: 52.52 CB :: 32.64 CG :: 27.38 CD :: 42.93 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.14 HA :: 4.73 HB2 :: 1.62 HB3 :: 1.82 HG2 :: 1.57 HG3 :: 1.57 HD2 :: 3.06 HD3 :: 3.06 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 130.61 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 T 0.43 S 0.03 A 0.01 C Shift Assignments>> C :: 173.91 CA :: 58.13 CB :: 68.03 CG2 :: 22.59 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.28 HA :: 4.99 HB :: 4.07 HG21 :: 0.97 HG22 :: 0.97 HG23 :: 0.97 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.06 Ave N Shift Values>> N :: 115.42(4.75) 1.W32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.63 C 0.36 HN Overlap>> 1.D112 1.D112 C Shift Assignments>> C :: 173.83 CA :: 54.21 CB :: 32.06 CD1 :: 126.76 CE3 :: 120.74 CZ2 :: 114.26 CZ3 :: 121.72 CH2 :: 124.12 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.10 HA :: 4.87 HB2 :: 3.04 HB3 :: 3.07 HD1 :: 6.70 HE1 :: 9.77 HE3 :: 7.06 HZ2 :: 7.30 HZ3 :: 6.76 HH2 :: 6.94 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.95 NE1 :: 129.81 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.12 CA :: 55.70 CB :: 61.36 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.33 HA :: 4.67 HB2 :: 3.59 HB3 :: 3.65 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.81 Ave N Shift Values>> N :: 116.28(3.52) 1.N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.2 C 0.07 F 0.05 L 0.05 Y 0.04 C Shift Assignments>> CA :: 52.25 CB :: 39.13 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.91 HA :: 4.61 HD21 :: 6.69 HD22 :: 7.40 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.75 ND2 :: 113.37 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.14 CA :: 58.80 CB :: 60.59 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.09 HB2 :: 3.80 HB3 :: 3.85 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.31 K 0.2 G 0.01 HN Overlap>> 1.N86 1.N86 C Shift Assignments>> C :: 176.05 CA :: 54.20 CB :: 30.41 CG :: 27.63 CD :: 42.22 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.29 HA :: 4.29 HB2 :: 1.66 HB3 :: 1.87 HG2 :: 1.45 HG3 :: 1.45 HD2 :: 3.01 HD3 :: 3.01 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.23 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.21 K 0.13 D 0.1 F 0.07 Y 0.04 C 0.03 I 0.01 G 0.01 C Shift Assignments>> C :: 170.53 CA :: 42.64 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.71 HA2 :: 3.68 HA3 :: 3.68 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.48 Ave N Shift Values>> N :: 109.67(3.87) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.38 E 0.17 Q 0.03 C Shift Assignments>> C :: 175.14 CA :: 54.13 CB :: 32.56 CG :: 35.76 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.90 HA :: 4.23 HB2 :: 1.69 HB3 :: 1.69 HG2 :: 1.88 HG3 :: 1.88 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.60 Ave N Shift Values>> N :: 120.67(3.48) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 G 0.28 R 0.25 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 176.00 CA :: 44.07 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.16 HA2 :: 3.79 HA3 :: 3.79 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.70 Ave N Shift Values>> N :: 109.67(3.87) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 K 0.21 A 0.03 R 0.02 C Shift Assignments>> C :: 174.50 CA :: 52.88 CB :: 36.23 CG :: 24.39 CD :: 30.34 CE :: 41.06 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.86 HA :: 5.35 HB2 :: 1.43 HB3 :: 1.60 HG2 :: 1.02 HG3 :: 1.33 HD2 :: 1.35 HD3 :: 1.35 HE2 :: 2.59 HE3 :: 2.59 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.44 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 C 0.24 R 0.17 L 0.12 C Shift Assignments>> C :: 175.83 CA :: 52.93 CB :: 44.22 CG :: 26.24 CD1 :: 25.33 CD2 :: 28.22 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.15 HA :: 5.39 HB2 :: 1.02 HB3 :: 1.65 HG :: 1.49 HD11 :: 0.46 HD12 :: 0.46 HD13 :: 0.46 HD21 :: 0.62 HD22 :: 0.62 HD23 :: 0.62 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.24 Ave N Shift Values>> N :: 121.86(3.9) 1.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.29 G 0.01 C Shift Assignments>> C :: 170.61 CA :: 57.88 CB :: 42.01 CD1 :: 132.86 CD2 :: 132.86 CE1 :: 129.79 CE2 :: 129.79 CZ :: 129.79 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.33 HA :: 4.46 HB2 :: 2.81 HB3 :: 3.13 HD1 :: 7.22 HD2 :: 7.22 HE1 :: 7.01 HE2 :: 7.01 HZ :: 7.01 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.81 Ave N Shift Values>> N :: 120.45(4.18) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 S 0.29 C Shift Assignments>> C :: 172.18 CA :: 56.47 CB :: 67.72 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.00 HA :: 5.13 HB2 :: 3.41 HB3 :: 3.41 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.83 Ave N Shift Values>> N :: 116.28(3.52) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.1 L 0.02 R 0.01 C Shift Assignments>> C :: 175.25 CA :: 51.80 CB :: 45.19 CG :: 26.99 CD1 :: 27.92 CD2 :: 26.96 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.19 HA :: 5.09 HB2 :: 1.49 HB3 :: 1.49 HG :: 1.41 HD11 :: 0.70 HD12 :: 0.70 HD13 :: 0.70 HD21 :: 0.82 HD22 :: 0.82 HD23 :: 0.82 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.02 Ave N Shift Values>> N :: 121.86(3.9) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 C 0.28 Q 0.24 E 0.1 K 0.06 C Shift Assignments>> C :: 173.68 CA :: 56.47 CB :: 31.16 CG :: 34.09 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.91 HA :: 4.56 HB2 :: 1.64 HB3 :: 1.64 HG2 :: 1.88 HG3 :: 1.88 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.60 Ave N Shift Values>> N :: 120.67(3.48) 1.L46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.4 G 0.28 C 0.17 R 0.12 A 0.01 C Shift Assignments>> C :: 176.06 CA :: 51.20 CB :: 43.21 CG :: 27.14 CD1 :: 24.49 CD2 :: 27.14 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.50 HA :: 5.17 HB2 :: 0.73 HB3 :: 1.55 HG :: 1.09 HD11 :: -0.30(S) HD12 :: -0.30(S) HD13 :: -0.30(S) HD21 :: 0.37 HD22 :: 0.37 HD23 :: 0.37 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.84 Ave N Shift Values>> N :: 121.86(3.9) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 V 0.11 HN Overlap>> 1.I19 1.I19 C Shift Assignments>> C :: 174.66 CA :: 58.17 CB :: 36.18 CG1 :: 22.68 CG2 :: 22.68 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.92 HA :: 5.00 HB :: 1.88 HG11 :: 0.82 HG12 :: 0.82 HG13 :: 0.82 HG21 :: 0.88 HG22 :: 0.88 HG23 :: 0.88 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.60 Ave N Shift Values>> N :: 121.14(4.54) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.26 K 0.1 N 0.09 R 0.05 F 0.04 C 0.04 Y 0.03 HN Overlap>> 1.A55 1.V203 1.A55 1.V203 C Shift Assignments>> C :: 175.07 CA :: 52.72 CB :: 41.94 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.80 HA :: 4.76 HB2 :: 2.77 HB3 :: 3.24 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.46 Ave N Shift Values>> N :: 120.65(3.86) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.33 I 0.19 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> C :: 176.31 CA :: 59.28 CB :: 29.28 CG :: 36.51 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.54 HA :: 3.92 HB2 :: 1.87 HB3 :: 1.87 HG2 :: 2.13 HG3 :: 2.13 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.24 Ave N Shift Values>> N :: 120.67(3.48) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.21 CA :: 55.79 CB :: 62.85 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.06 HA :: 4.43 HB2 :: 3.61 HB3 :: 3.83 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.07 Ave N Shift Values>> N :: 116.28(3.52) 1.G51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.28 R 0.2 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 180.74(S) CA :: 44.22 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.54 HA2 :: 3.87 HA3 :: 3.87 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.47 Ave N Shift Values>> N :: 109.67(3.87) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 M 0.22 E 0.03 Q 0.01 C Shift Assignments>> C :: 174.33 CA :: 53.66 CB :: 34.44 CG :: 35.15 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.99 HA :: 3.90 HB2 :: 1.66 HB3 :: 1.88 HG2 :: 2.03 HG3 :: 2.03 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.78 Ave N Shift Values>> N :: 120.67(3.48) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 I 0.23 C Shift Assignments>> C :: 176.41 CA :: 59.10 CB :: 41.20 CG1 :: 29.32 CG2 :: 16.36 CD1 :: 15.95 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.80 HA :: 4.24 HB :: 1.22 HG12 :: 1.15 HG13 :: 1.53 HG21 :: 0.23 HG22 :: 0.23 HG23 :: 0.23 HD11 :: 0.23 HD12 :: 0.23 HD13 :: 0.23 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.71 Ave N Shift Values>> N :: 121.46(4.28) 1.R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.33 K 0.24 G 0.01 C Shift Assignments>> C :: 174.68 CA :: 55.06 CB :: 31.63 CG :: 27.30 CD :: 42.23 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.88 HA :: 4.55 HB2 :: 1.66 HB3 :: 1.66 HG2 :: 1.43 HG3 :: 1.43 HD2 :: 2.99 HD3 :: 2.99 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 128.16 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.16 C 0.03 P 0.01 HN Overlap>> 1.D48 1.D48 C Shift Assignments>> C :: 175.61 CA :: 47.81 CB :: 24.26 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.77 HA :: 5.45 HB1 :: 0.69 HB2 :: 0.69 HB3 :: 0.69 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.37 Ave N Shift Values>> N :: 123.23(3.54) 1.T56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 T 0.45 S 0.02 HN Overlap>> 1.D184 1.S2 1.D184 1.S2 C Shift Assignments>> C :: 171.12 CA :: 59.27 CB :: 68.05 CG2 :: 23.05 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.89 HA :: 4.40 HB :: 3.45 HG21 :: 0.27(S) HG22 :: 0.27(S) HG23 :: 0.27(S) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.24 Ave N Shift Values>> N :: 115.42(4.75) 1.A57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.7 L 0.13 A 0.08 C 0.06 C Shift Assignments>> C :: 173.41 CA :: 48.22 CB :: 23.06 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.85 HA :: 4.35 HB1 :: 0.43(S) HB2 :: 0.43(S) HB3 :: 0.43(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.23 Ave N Shift Values>> N :: 123.23(3.54) 1.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.8 C 0.17 G 0.01 C Shift Assignments>> C :: 176.64 CA :: 54.69 CB :: 42.08 CD1 :: 131.97 CD2 :: 131.97 CE1 :: 131.25 CE2 :: 131.25 CZ :: 130.37 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.15 HA :: 5.23 HB2 :: 2.88 HB3 :: 2.88 HD1 :: 7.13 HD2 :: 7.13 HE1 :: 6.95 HE2 :: 6.95 HZ :: 7.02 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.41 Ave N Shift Values>> N :: 120.45(4.18) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 C 0.19 E 0.11 Y 0.1 F 0.07 M 0.06 D 0.04 L 0.01 K 0.01 C Shift Assignments>> C :: 176.23 CA :: 54.17 CB :: 37.23 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.18 HA :: 4.05 HB2 :: 2.86 HB3 :: 3.04 HD21 :: 6.90 HD22 :: 7.82 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.13 ND2 :: 112.84 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.13 K 0.09 Q 0.04 C Shift Assignments>> C :: 178.99 CA :: 58.12 CB :: 28.82 CG :: 36.30 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.51 HA :: 4.10 HB2 :: 2.00 HB3 :: 2.00 HG2 :: 2.34 HG3 :: 2.34 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.31 Ave N Shift Values>> N :: 120.67(3.48) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.23 Q 0.2 R 0.07 I 0.02 E 0.02 M 0.01 P 0.01 C Shift Assignments>> C :: 179.64 CA :: 59.75 CB :: 28.35 CG :: 33.47 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.46 HA :: 4.23 HB2 :: 2.14 HB3 :: 2.67 HG2 :: 2.47 HG3 :: 2.47 HE21 :: 6.63 HE22 :: 7.35 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.87 NE2 :: 112.72 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.34 HN Overlap>> 1.W234 1.W234 C Shift Assignments>> C :: 176.73 CA :: 64.08 CB :: 30.44 CG1 :: 23.13 CG2 :: 24.42 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.91 HA :: 3.63 HB :: 2.27 HG11 :: 0.69 HG12 :: 0.69 HG13 :: 0.69 HG21 :: 0.81 HG22 :: 0.81 HG23 :: 0.81 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.03 Ave N Shift Values>> N :: 121.14(4.54) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.22 D 0.22 F 0.16 Y 0.15 C 0.1 L 0.09 I 0.01 C Shift Assignments>> C :: 177.11 CA :: 55.01 CB :: 39.41 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 6.96 HA :: 4.03 HB2 :: 2.46 HB3 :: 2.46 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.16 Ave N Shift Values>> N :: 120.65(3.86) 1.K64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.5 C 0.44 R 0.04 C Shift Assignments>> C :: 177.25 CA :: 56.28 CB :: 33.50 CG :: 25.08 CD :: 29.64 CE :: 41.21 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.96 HA :: 3.77 HB2 :: 1.08 HB3 :: 1.45 HG2 :: 0.05(S) HG3 :: 0.70 HD2 :: 1.16 HD3 :: 1.27 HE2 :: 2.55 HE3 :: 2.55 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.02 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.37 C Shift Assignments>> C :: 174.34 CA :: 58.00 CB :: 39.27 CD1 :: 131.32 CD2 :: 131.32 CE1 :: 131.34 CE2 :: 131.34 CZ :: 131.22 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.63 HA :: 4.55 HB2 :: 2.86 HB3 :: 3.06 HD1 :: 7.27 HD2 :: 7.27 HE1 :: 7.39 HE2 :: 7.39 HZ :: 7.45 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 111.13 Ave N Shift Values>> N :: 120.45(4.18) 1.F66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.71 F 0.28 HN Overlap>> 1.V5 1.V5 C Shift Assignments>> CA :: 64.91 CB :: 36.31 CD1 :: 131.43 CD2 :: 131.43 CE1 :: 131.49 CE2 :: 131.49 CZ :: 131.37 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.90 HA :: 4.52 HB2 :: 2.79 HB3 :: 3.20 HD1 :: 5.97(S) HD2 :: 5.97(S) HE1 :: 7.23 HE2 :: 7.23 HZ :: 7.16 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.77 Ave N Shift Values>> N :: 120.45(4.18) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.7 P 0.29 C Shift Assignments>> C :: 176.86 CA :: 60.75 CB :: 32.39 CG :: 28.13 CD :: 49.42 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.21 HB2 :: 1.68 HB3 :: 2.08 HG2 :: 1.74 HG3 :: 1.85 HD2 :: 3.44 HD3 :: 3.67 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.18 R 0.11 G 0.08 A 0.01 C Shift Assignments>> C :: 173.32 CA :: 53.19 CB :: 43.17 CG :: 27.36 CD1 :: 24.29 CD2 :: 25.88 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.80 HA :: 4.12 HB2 :: 1.66 HB3 :: 1.66 HG :: 1.56 HD11 :: 0.73 HD12 :: 0.73 HD13 :: 0.73 HD21 :: 0.82 HD22 :: 0.82 HD23 :: 0.82 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.75 Ave N Shift Values>> N :: 121.86(3.9) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 I 0.27 A 0.03 C Shift Assignments>> C :: 175.77 CA :: 58.18 CB :: 39.32 CG1 :: 27.40 CG2 :: 19.87 CD1 :: 15.54 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.52 HA :: 3.68 HB :: 1.23 HG12 :: 0.37 HG13 :: 1.48 HG21 :: 0.57 HG22 :: 0.57 HG23 :: 0.57 HD11 :: 0.61 HD12 :: 0.61 HD13 :: 0.61 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.12 Ave N Shift Values>> N :: 121.46(4.28) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.35 E 0.19 Q 0.01 C Shift Assignments>> C :: 174.80 CA :: 54.10 CB :: 32.53 CG :: 36.29 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.68 HA :: 4.43 HB2 :: 1.70 HB3 :: 1.87 HG2 :: 1.95 HG3 :: 2.04 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 128.79 Ave N Shift Values>> N :: 120.67(3.48) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.35 HN Overlap>> 1.R192 1.R192 C Shift Assignments>> C :: 175.38 CA :: 61.45 CB :: 31.86 CG1 :: 22.18 CG2 :: 24.33 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.25 HA :: 3.40 HB :: 1.74 HG11 :: 0.77 HG12 :: 0.77 HG13 :: 0.77 HG21 :: 0.82 HG22 :: 0.82 HG23 :: 0.82 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.29 Ave N Shift Values>> N :: 121.14(4.54) 1.N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 C 0.18 E 0.1 Y 0.09 F 0.06 M 0.06 D 0.04 L 0.01 K 0.01 C Shift Assignments>> C :: 175.83 CA :: 53.87 CB :: 37.23 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.31 HA :: 4.15 HB2 :: 2.93 HB3 :: 2.99 HD21 :: 6.78 HD22 :: 7.49 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.47 ND2 :: 113.78 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.28 K 0.21 G 0.04 C Shift Assignments>> C :: 173.89 CA :: 53.13 CB :: 33.96 CG :: 26.65 CD :: 29.32 CE :: 42.69 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.38 HA :: 4.43 HB2 :: 1.36 HB3 :: 2.02 HG2 :: 1.04 HG3 :: 1.26 HD2 :: 1.46 HD3 :: 1.46 HE2 :: 2.73 HE3 :: 2.73 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.41 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 V 0.19 HN Overlap>> 1.T104 1.T104 C Shift Assignments>> C :: 176.07 CA :: 58.31 CB :: 33.06 CG1 :: 23.73 CG2 :: 22.41 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.35 HA :: 4.55 HB :: 1.46 HG11 :: 0.49 HG12 :: 0.49 HG13 :: 0.49 HG21 :: 0.61 HG22 :: 0.61 HG23 :: 0.61 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.24 Ave N Shift Values>> N :: 121.14(4.54) 1.Y75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.75 C 0.24 C Shift Assignments>> C :: 175.84 CA :: 56.94 CB :: 41.47 CD1 :: 132.82 CD2 :: 132.82 CE1 :: 118.20 CE2 :: 118.20 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.83 HA :: 4.61 HB2 :: 1.98 HB3 :: 2.17 HD1 :: 6.56 HD2 :: 6.56 HE1 :: 6.74 HE2 :: 6.74 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.60 Ave N Shift Values>> N :: 120.52(4.2) 1.Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 176.86 CA :: 54.97 CB :: 38.96 CD1 :: 133.05 CD2 :: 133.05 CE1 :: 119.51 CE2 :: 119.51 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.59 HA :: 5.60 HB2 :: 2.57 HB3 :: 2.57 HD1 :: 6.83 HD2 :: 6.83 HE1 :: 6.74 HE2 :: 6.74 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.09 Ave N Shift Values>> N :: 120.52(4.2) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 F 0.28 C 0.18 HN Overlap>> 1.M169 1.M169 C Shift Assignments>> C :: 173.97 CA :: 56.91 CB :: 40.97 CD1 :: 133.05 CD2 :: 133.05 CE1 :: 129.65 CE2 :: 129.65 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.58 HA :: 5.14 HB2 :: 2.61 HB3 :: 2.84 HD1 :: 6.83 HD2 :: 6.83 HE1 :: 7.10 HE2 :: 7.10 HZ :: 6.04 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.32 Ave N Shift Values>> N :: 120.45(4.18) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T117 1.T117 C Shift Assignments>> CA :: 54.64 CB :: 62.72 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.15 HA :: 4.69 HB2 :: 3.51 HB3 :: 3.51 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.19 Ave N Shift Values>> N :: 116.28(3.52) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.11 H 0.1 Q 0.09 R 0.09 L 0.08 K 0.08 E 0.06 W 0.06 C 0.06 F 0.05 D 0.05 Y 0.05 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 176.78 CA :: 56.22 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 2.96 HB2 :: 1.88 HB3 :: 1.88 HG2 :: 0.98 HG3 :: 1.06 HD2 :: 1.43 HD3 :: 1.37 HE2 :: 2.70 HE3 :: 2.70 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.27 R 0.18 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 175.08 CA :: 44.28 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.29 HA2 :: 3.50 HA3 :: 4.08 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.10 Ave N Shift Values>> N :: 109.67(3.87) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 T 0.41 S 0.08 HN Overlap>> 1.I166 1.I166 C Shift Assignments>> C :: 173.43 CA :: 59.28 CB :: 67.46 CG2 :: 22.77 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.67 HA :: 4.56 HB :: 4.01 HG21 :: 1.04 HG22 :: 1.04 HG23 :: 1.04 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.73 Ave N Shift Values>> N :: 115.42(4.75) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 C 0.23 R 0.2 L 0.13 C Shift Assignments>> C :: 175.16 CA :: 52.09 CB :: 43.89 CG :: 29.23 CD1 :: 25.40 CD2 :: 25.66 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.97 HA :: 5.10 HB2 :: 0.76 HB3 :: 1.18 HG :: 1.25 HD11 :: 0.10 HD12 :: 0.10 HD13 :: 0.10 HD21 :: 0.16 HD22 :: 0.16 HD23 :: 0.16 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.80 Ave N Shift Values>> N :: 121.86(3.9) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.41 A 0.03 R 0.02 C Shift Assignments>> C :: 174.93 CA :: 52.14 CB :: 35.71 CG :: 24.40 CD :: 29.64 CE :: 41.29 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.57 HA :: 4.60 HB2 :: 1.60 HB3 :: 1.60 HG2 :: 1.02 HG3 :: 1.16 HD2 :: 1.44 HD3 :: 1.44 HE2 :: 2.73 HE3 :: 2.73 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.92 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.49 C Shift Assignments>> C :: 175.74 CA :: 59.94 CB :: 37.18 CG1 :: 28.69 CG2 :: 19.15 CD1 :: 14.04 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.39 HA :: 3.96 HB :: 1.65 HG12 :: 1.16 HG13 :: 1.49 HG21 :: 0.82 HG22 :: 0.82 HG23 :: 0.82 HD11 :: 0.76 HD12 :: 0.76 HD13 :: 0.76 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.56 Ave N Shift Values>> N :: 121.46(4.28) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 C 0.03 L 0.03 C Shift Assignments>> C :: 175.13 CA :: 50.22 CB :: 20.84 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.58 HA :: 4.17 HB1 :: 0.93 HB2 :: 0.93 HB3 :: 0.93 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.15 Ave N Shift Values>> N :: 123.23(3.54) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 C 0.11 D 0.08 Y 0.03 F 0.03 L 0.01 M 0.01 HN Overlap>> 1.R36 1.R36 C Shift Assignments>> C :: 175.81 CA :: 51.20 CB :: 38.06 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.29 HA :: 4.51 HB2 :: 2.59 HB3 :: 2.76 HD21 :: 6.75 HD22 :: 7.49 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.23 ND2 :: 112.72 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.41 R 0.14 HN Overlap>> 1.F100 1.T177 1.F100 1.T177 C Shift Assignments>> C :: 176.23 CA :: 57.41 CB :: 32.10 CG :: 24.96 CD :: 28.95 CE :: 42.00 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.31 HA :: 3.99 HB2 :: 1.65 HB3 :: 1.47 HG2 :: 1.19 HG3 :: 0.91 HE2 :: 2.78 HE3 :: 2.78 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.06 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.28 C 0.22 M 0.08 E 0.03 R 0.03 C Shift Assignments>> C :: 175.99 CA :: 55.07 CB :: 29.40 CG :: 33.49 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.01 HA :: 3.85 HB2 :: 1.45 HB3 :: 1.57 HG2 :: 1.76 HG3 :: 1.91 HE21 :: 6.63 HE22 :: 7.19 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.25 NE2 :: 112.60 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.36 C Shift Assignments>> C :: 175.22 CA :: 57.41 CB :: 39.13 CD1 :: 131.43 CD2 :: 131.43 CE1 :: 132.34 CE2 :: 132.34 CZ :: 128.75 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.81 HA :: 4.52 HB2 :: 2.73 HB3 :: 3.15 HD1 :: 7.07 HD2 :: 7.07 HE1 :: 6.83 HE2 :: 6.83 HZ :: 6.78 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.59 Ave N Shift Values>> N :: 120.45(4.18) 1.T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 S 0.4 T 0.12 A 0.04 C Shift Assignments>> C :: 172.46 CA :: 57.68 CB :: 66.38 CG2 :: 21.87 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.41 HA :: 4.24 HB :: 3.92 HG21 :: 0.94 HG22 :: 0.94 HG23 :: 0.94 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.53 Ave N Shift Values>> N :: 115.42(4.75) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.02 M 0.01 L 0.01 C Shift Assignments>> C :: 177.33 CA :: 50.58 CB :: 20.24 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.19 HA :: 4.18 HB1 :: 1.19 HB2 :: 1.19 HB3 :: 1.19 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.54 Ave N Shift Values>> N :: 123.23(3.54) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 C Shift Assignments>> C :: 173.44 CA :: 59.99 CB :: 32.39 CG1 :: 22.34 CG2 :: 22.34 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.79 HA :: 3.78 HB :: 1.77 HG11 :: 0.66 HG12 :: 0.66 HG13 :: 0.66 HG21 :: 0.66 HG22 :: 0.66 HG23 :: 0.66 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.22 Ave N Shift Values>> N :: 121.14(4.54) 1.K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.43 R 0.04 C Shift Assignments>> C :: 174.54 CA :: 56.00 CB :: 31.63 CG :: 24.67 CD :: 29.29 CE :: 41.24 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.06 HA :: 4.06 HB2 :: 1.55 HB3 :: 1.55 HG2 :: 1.17 HG3 :: 1.27 HD2 :: 1.47 HD3 :: 1.47 HE2 :: 2.78 HE3 :: 2.78 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 129.44 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.21 C 0.07 F 0.06 L 0.05 Y 0.05 C Shift Assignments>> C :: 174.08 CA :: 52.72 CB :: 39.20 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.39 HA :: 4.31 HB2 :: 2.75 HB3 :: 2.83 HD21 :: 6.93 HD22 :: 7.62 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.35 ND2 :: 111.02 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.22 F 0.19 L 0.17 Y 0.16 C 0.08 N 0.06 K 0.06 I 0.02 C Shift Assignments>> C :: 176.73 CA :: 56.00 CB :: 40.53 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.40 HA :: 4.20 HB2 :: 1.60(S) HB3 :: 1.90 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.05 Ave N Shift Values>> N :: 120.65(3.86) 1.Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.79 C 0.2 C Shift Assignments>> C :: 174.08 CA :: 53.91 CB :: 40.66 CD1 :: 132.88 CD2 :: 132.88 CE1 :: 118.06 CE2 :: 118.06 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.00 HA :: 5.19 HB2 :: 2.24 HB3 :: 2.70 HD1 :: 6.77 HD2 :: 6.77 HE1 :: 6.65 HE2 :: 6.65 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.02 Ave N Shift Values>> N :: 120.52(4.2) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.23 E 0.08 C Shift Assignments>> C :: 173.26 CA :: 54.12 CB :: 33.97 CG :: 36.16 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.88 HA :: 4.59 HB2 :: 1.87 HB3 :: 2.01 HG2 :: 2.01 HG3 :: 2.01 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.24 Ave N Shift Values>> N :: 120.67(3.48) 1.M98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 C 0.16 M 0.15 HN Overlap>> 1.I152 1.I152 C Shift Assignments>> C :: 175.27 CA :: 52.42 CB :: 36.38 CG :: 31.40 CE :: 18.34 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.79 HA :: 5.36 HB2 :: 1.45 HB3 :: 1.60 HG2 :: 1.93 HG3 :: 2.20 HE1 :: 1.90 HE2 :: 1.90 HE3 :: 1.90 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.41 Ave N Shift Values>> N :: 120.09(3.57) 1.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 T 0.21 S 0.04 C Shift Assignments>> C :: 174.36 CA :: 58.10 CB :: 67.94 CG2 :: 23.39 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.53 HA :: 5.21 HB :: 4.01 HG21 :: 1.29 HG22 :: 1.29 HG23 :: 1.29 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.35 Ave N Shift Values>> N :: 115.42(4.75) 1.F100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 1.K87 1.K87 1.T177 1.T177 C Shift Assignments>> C :: 175.77 CA :: 56.94 CB :: 39.60 CD1 :: 128.10 CD2 :: 128.10 CE1 :: 130.14 CE2 :: 130.14 CZ :: 130.02 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.31 HA :: 4.52 HB2 :: 2.78 HB3 :: 3.00 HD1 :: 6.59 HD2 :: 6.59 HE1 :: 7.16 HE2 :: 7.16 HZ :: 7.01 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.06 Ave N Shift Values>> N :: 120.45(4.18) 1.N101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.32 L 0.13 C 0.05 F 0.05 Y 0.04 K 0.01 C Shift Assignments>> CA :: 52.25 CB :: 40.53 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.37 HA :: 4.52 HB2 :: 2.69 HB3 :: 2.69 HD21 :: 6.91 HD22 :: 7.57 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.78 ND2 :: 114.11 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 C 0.18 Y 0.11 E 0.1 F 0.08 M 0.05 D 0.05 L 0.01 I 0.01 C Shift Assignments>> C :: 175.67 CA :: 54.30 CB :: 37.40 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.41 HB2 :: 2.74 HB3 :: 2.74 HD21 :: 7.05 HD22 :: 8.01 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> ND2 :: 114.20 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.4 M 0.11 I 0.02 K 0.01 C Shift Assignments>> C :: 174.04 CA :: 56.00 CB :: 30.69 CG :: 37.17 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.78 HA :: 4.22 HB2 :: 1.94 HB3 :: 1.94 HG2 :: 2.04 HG3 :: 2.04 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.73 Ave N Shift Values>> N :: 120.67(3.48) 1.T104 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> 1.V74 1.V74 C Shift Assignments>> C :: 173.11 CA :: 63.50 CB :: 69.12 CG2 :: 22.24 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.41 HA :: 4.27 HB :: 3.70 HG21 :: 0.28(S) HG22 :: 0.28(S) HG23 :: 0.28(S) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.25 Ave N Shift Values>> N :: 115.42(4.75) 1.S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.56 CA :: 54.43 CB :: 63.02 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.44 HA :: 4.76 HB2 :: 3.51 HB3 :: 3.62 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.38 Ave N Shift Values>> N :: 116.28(3.52) 1.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.3 HN Overlap>> 1.C109 1.C109 C Shift Assignments>> C :: 175.14 CA :: 58.28 CB :: 34.28 CG1 :: 22.20 CG2 :: 22.61 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.03 HA :: 4.54 HB :: 1.54 HG11 :: -0.01 HG12 :: -0.01 HG13 :: -0.01 HG21 :: 0.11 HG22 :: 0.11 HG23 :: 0.11 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.26 Ave N Shift Values>> N :: 121.14(4.54) 1.M107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 C 0.12 M 0.11 C Shift Assignments>> CA :: 50.23 CB :: 36.06 CG :: 31.54 CE :: 18.34 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.13 HA :: 5.19 HB2 :: 1.88 HB3 :: 2.11 HG2 :: 2.47 HG3 :: 2.47 HE1 :: 1.76 HE2 :: 1.76 HE3 :: 1.76 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 124.57 Ave N Shift Values>> N :: 120.09(3.57) 1.P108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.71 P 0.28 C Shift Assignments>> C :: 173.81 CA :: 60.85 CB :: 32.93 CG :: 28.32 CD :: 49.73 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.18 HB2 :: 1.75 HB3 :: 2.18 HG2 :: 2.02 HG3 :: 2.09 HD2 :: 3.79 HD3 :: 3.85 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.C109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.18 L 0.15 F 0.12 Y 0.1 C 0.07 K 0.02 HN Overlap>> 1.V106 1.V106 C Shift Assignments>> C :: 172.56 CA :: 54.56 CB :: 40.24 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.98 HA :: 4.31 HB2 :: 1.66 HB3 :: 2.20 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 123.35 Ave N Shift Values>> N :: 120.17(4.64) 1.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.38 M 0.18 Q 0.01 K 0.01 HN Overlap>> 1.Q119 1.Q119 C Shift Assignments>> C :: 174.36 CA :: 55.53 CB :: 31.16 CG :: 36.79 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.84 HA :: 4.10 HB2 :: 1.72 HB3 :: 1.72 HG2 :: 1.97 HG3 :: 1.97 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.95 Ave N Shift Values>> N :: 120.67(3.48) 1.D111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.24 K 0.15 R 0.11 F 0.06 C 0.04 Y 0.04 N 0.03 C Shift Assignments>> CA :: 54.24 CB :: 42.28 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.99 HA :: 4.14 HB2 :: 1.89 HB3 :: 2.36 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.74 Ave N Shift Values>> N :: 120.65(3.86) 1.D112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.21 L 0.17 F 0.08 Y 0.06 C 0.05 K 0.03 HN Overlap>> 1.W32 1.W32 C Shift Assignments>> CA :: 53.50 CB :: 40.65 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.06 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.02 Ave N Shift Values>> N :: 120.65(3.86) 1.H113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.11 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.41 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.35 V 0.34 C 0.17 W 0.04 I 0.02 R 0.01 K 0.01 E 0.01 C Shift Assignments>> CA :: 62.60 CB :: 31.68 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.T117 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.S191 1.S78 1.S191 1.S78 H Shift Assignments>> H :: 8.05 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.24 Ave N Shift Values>> N :: 115.42(4.75) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.33 C 0.25 P 0.14 W 0.07 K 0.05 R 0.03 H 0.02 E 0.02 M 0.02 Q 0.01 C Shift Assignments>> CA :: 61.28 CB :: 32.31 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) 1.Q119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 C 0.22 K 0.2 M 0.15 E 0.07 HN Overlap>> 1.E110 1.E110 C Shift Assignments>> C :: 174.10 CA :: 54.73 CB :: 30.04 CG :: 33.95 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.95 HA :: 4.11 HB2 :: 1.67 HB3 :: 1.55 HG2 :: 1.99 HG3 :: 1.99 HE21 :: 6.63 HE22 :: 7.30 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.95 NE2 :: 112.78 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F120 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.77 C 0.21 G 0.01 HN Overlap>> 1.D205 1.D205 C Shift Assignments>> C :: 174.62 CA :: 56.72 CB :: 41.98 CD1 :: 132.20 CD2 :: 132.20 CE1 :: 130.11 CE2 :: 130.11 CZ :: 128.61 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.12 HA :: 4.08 HB2 :: 1.66(S) HB3 :: 1.09(S) HD1 :: 6.71 HD2 :: 6.71 HE1 :: 6.93 HE2 :: 6.93 HZ :: 6.84 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.83 Ave N Shift Values>> N :: 120.45(4.18) 1.D121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.31 L 0.14 C 0.05 F 0.05 Y 0.03 K 0.02 C Shift Assignments>> C :: 174.81 CA :: 51.97 CB :: 40.71 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.36 HA :: 4.62 HB2 :: 2.55 HB3 :: 2.17 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.54 Ave N Shift Values>> N :: 120.65(3.86) 1.F122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.35 C Shift Assignments>> C :: 177.62 CA :: 59.63 CB :: 38.86 CD1 :: 130.74 CD2 :: 130.74 CE1 :: 130.67 CE2 :: 130.67 CZ :: 129.17 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.17 HA :: 4.38 HB2 :: 3.07 HB3 :: 2.60 HD1 :: 6.80 HD2 :: 6.80 HE1 :: 6.56 HE2 :: 6.56 HZ :: 5.62 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.05 Ave N Shift Values>> N :: 120.45(4.18) 1.T123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.F235 1.F235 C Shift Assignments>> C :: 174.30 CA :: 62.42 CB :: 70.80 CG2 :: 22.13 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.88 HA :: 4.33 HB :: 3.72 HG21 :: 1.13 HG22 :: 1.13 HG23 :: 1.13 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.59 Ave N Shift Values>> N :: 115.42(4.75) 1.G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.81 CA :: 45.48 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.05 HA2 :: 3.76 HA3 :: 3.76 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.73 Ave N Shift Values>> N :: 109.67(3.87) 1.I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 HN Overlap>> 1.D224 1.D224 C Shift Assignments>> C :: 177.94 CA :: 65.55 CB :: 37.14 CG1 :: 26.66 CG2 :: 17.98 CD1 :: 13.05 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.65 HA :: 3.24 HB :: 1.50 HG12 :: 1.19 HG13 :: 0.84 HG21 :: 0.64 HG22 :: 0.64 HG23 :: 0.64 HD11 :: 0.56 HD12 :: 0.56 HD13 :: 0.56 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.66 Ave N Shift Values>> N :: 121.46(4.28) 1.D126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.2 D 0.19 Y 0.17 F 0.17 C 0.11 L 0.09 I 0.01 C Shift Assignments>> C :: 179.22 CA :: 55.29 CB :: 39.27 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.91 HA :: 4.07 HB2 :: 2.58 HB3 :: 2.58 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.58 Ave N Shift Values>> N :: 120.65(3.86) 1.D127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.24 R 0.14 K 0.12 F 0.05 C 0.04 Y 0.03 N 0.03 G 0.01 HN Overlap>> 1.A228 1.A228 C Shift Assignments>> C :: 177.75 CA :: 53.95 CB :: 42.45 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.43 HA :: 4.74 HB2 :: 2.66 HB3 :: 2.37 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.74 Ave N Shift Values>> N :: 120.65(3.86) 1.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.39 R 0.06 HN Overlap>> 1.L231 1.L231 C Shift Assignments>> C :: 178.81 CA :: 57.66 CB :: 41.94 CG :: 26.44 CD1 :: 26.52 CD2 :: 23.66 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.35 HA :: 3.69 HB2 :: 1.71 HB3 :: 1.14 HG :: 1.77 HD11 :: 0.72 HD12 :: 0.72 HD13 :: 0.72 HD21 :: 0.58 HD22 :: 0.58 HD23 :: 0.58 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.76 Ave N Shift Values>> N :: 121.86(3.9) 1.E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.31 K 0.13 Q 0.1 I 0.07 M 0.02 C Shift Assignments>> C :: 176.10 CA :: 58.44 CB :: 29.30 CG :: 35.65 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.95 HA :: 3.81 HB2 :: 1.87 HB3 :: 1.80 HG2 :: 2.07 HG3 :: 1.99 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.53 Ave N Shift Values>> N :: 120.67(3.48) 1.N130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.22 C 0.08 F 0.07 Y 0.06 L 0.06 C Shift Assignments>> C :: 175.14 CA :: 53.08 CB :: 39.20 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.48 HA :: 4.66 HB2 :: 2.82 HB3 :: 2.60 HD21 :: 6.95 HD22 :: 7.80 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.32 ND2 :: 116.04 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.25 C 0.19 K 0.13 H 0.11 R 0.1 Q 0.09 W 0.05 E 0.02 P 0.01 C Shift Assignments>> C :: 175.91 CA :: 52.91 CB :: 32.61 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.40 HA :: 4.46 HB2 :: 1.95 HB3 :: 1.95 HG2 :: 1.56 HG3 :: 1.56 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.11 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.37 CA :: 57.33 CB :: 64.23 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.41 HA :: 4.60 HB2 :: 3.74 HB3 :: 3.74 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.99 Ave N Shift Values>> N :: 116.28(3.52) 1.K133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.45 R 0.07 C Shift Assignments>> C :: 175.91 CA :: 58.52 CB :: 32.23 CG :: 24.60 CD :: 29.39 CE :: 41.90 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.53 HA :: 3.42 HB2 :: 1.43 HB3 :: 1.39 HG2 :: 1.20 HG3 :: 1.04 HD2 :: 1.33 HD3 :: 1.33 HE2 :: 2.78 HE3 :: 2.78 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.63 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.26 C 0.16 I 0.08 D 0.06 L 0.04 N 0.03 E 0.01 HN Overlap>> 1.I139 1.I139 C Shift Assignments>> C :: 175.13 CA :: 57.38 CB :: 38.97 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.82 HA :: 4.10 HB2 :: 3.06 HB3 :: 2.73 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.40 Ave N Shift Values>> N :: 120.65(3.86) 1.S135 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 180.72(S) CA :: 59.32 CB :: 64.23 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.64 HA :: 4.23 HB2 :: 3.73 HB3 :: 3.73 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.55 Ave N Shift Values>> N :: 116.28(3.52) 1.L136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.2 R 0.15 G 0.11 C Shift Assignments>> C :: 177.88 CA :: 53.56 CB :: 43.33 CG :: 26.90 CD1 :: 26.90 CD2 :: 25.17 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.25 HA :: 5.23 HB2 :: 1.55 HB3 :: 1.09 HG :: 1.48 HD11 :: 0.68 HD12 :: 0.68 HD13 :: 0.68 HD21 :: 0.52 HD22 :: 0.52 HD23 :: 0.52 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.48 Ave N Shift Values>> N :: 121.86(3.9) 1.V137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 V 0.03 A 0.02 I 0.01 C Shift Assignments>> C :: 172.98 CA :: 58.75 CB :: 36.62 CG1 :: 18.79 CG2 :: 22.33 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.06 HA :: 4.57 HB :: 1.91 HG11 :: 0.47 HG12 :: 0.47 HG13 :: 0.47 HG21 :: 0.60 HG22 :: 0.60 HG23 :: 0.60 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.54 Ave N Shift Values>> N :: 121.14(4.54) 1.D138 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.38 N 0.22 L 0.18 C 0.05 K 0.05 F 0.04 Y 0.03 C Shift Assignments>> C :: 175.61 CA :: 52.03 CB :: 41.17 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.58 HA :: 5.82(S) HB2 :: 2.49 HB3 :: 2.49 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.41 Ave N Shift Values>> N :: 120.65(3.86) 1.I139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 I 0.18 G 0.1 A 0.05 HN Overlap>> 1.D134 1.D134 C Shift Assignments>> C :: 181.28 CA :: 57.72 CB :: 43.12 CG1 :: 26.56 CG2 :: 17.43 CD1 :: 12.64 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.90 HA :: 4.88 HB :: 1.51 HG12 :: 1.19 HG13 :: 0.83 HG21 :: 0.40 HG22 :: 0.40 HG23 :: 0.40 HD11 :: 0.64 HD12 :: 0.64 HD13 :: 0.64 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.41 Ave N Shift Values>> N :: 121.46(4.28) 1.I140 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.87 I 0.12 C Shift Assignments>> C :: 181.12 CA :: 57.94 CB :: 40.42 CG1 :: 27.96 CG2 :: 14.09 CD1 :: 13.13 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.76 HA :: 5.06 HB :: 0.47(S) HG12 :: 0.23 HG13 :: 0.90 HG21 :: 0.07 HG22 :: 0.07 HG23 :: 0.07 HD11 :: -0.32(S) HD12 :: -0.32(S) HD13 :: -0.32(S) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.46 Ave N Shift Values>> N :: 121.46(4.28) 1.G141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 179.78 CA :: 45.08 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.87 HA2 :: 4.14 HA3 :: 3.14 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.42 Ave N Shift Values>> N :: 109.67(3.87) 1.I142 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.6 I 0.39 C Shift Assignments>> C :: 175.96 CA :: 58.96 CB :: 39.78 CG1 :: 27.80 CG2 :: 15.18 CD1 :: 12.55 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.17 HA :: 4.17 HB :: 1.33 HG12 :: 1.07 HG13 :: 0.84 HG21 :: -0.22(S) HG22 :: -0.22(S) HG23 :: -0.22(S) HD11 :: 0.33 HD12 :: 0.33 HD13 :: 0.33 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.21 Ave N Shift Values>> N :: 121.46(4.28) 1.C143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 C 0.2 L 0.19 R 0.09 I 0.06 Q 0.03 W 0.02 H 0.01 HN Overlap>> 1.V23 1.V23 C Shift Assignments>> C :: 181.19 CA :: 58.22 CB :: 25.24 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.42 HA :: 4.80 HB2 :: 2.85 HB3 :: 2.35 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 126.81 Ave N Shift Values>> N :: 120.17(4.64) 1.K144 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.47 K 0.46 R 0.05 C Shift Assignments>> C :: 175.62 CA :: 58.43 CB :: 33.73 CG :: 24.75 CD :: 29.39 CE :: 41.90 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.66 HA :: 3.84 HB2 :: 1.64 HB3 :: 1.64 HG2 :: 1.38 HG3 :: 1.38 HD2 :: 1.54 HD3 :: 1.70 HE2 :: 2.84 HE3 :: 2.84 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 134.79(S) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S145 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 180.24 CA :: 64.29 CB :: 57.11(S) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.96 HA :: 4.56 HB2 :: 3.80 HB3 :: 3.80 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 108.50 Ave N Shift Values>> N :: 116.28(3.52) 1.Y146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> C :: 172.90 CA :: 56.48 CB :: 40.44 CD1 :: 132.41 CD2 :: 132.41 CE1 :: 119.06 CE2 :: 119.06 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.17 HA :: 4.92 HB2 :: 3.12 HB3 :: 2.85 HD1 :: 7.03 HD2 :: 7.03 HE1 :: 6.70 HE2 :: 6.70 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 114.90 Ave N Shift Values>> N :: 120.52(4.2) 1.E147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.16 K 0.16 R 0.11 H 0.11 Q 0.1 W 0.06 E 0.03 C Shift Assignments>> C :: 176.83 CA :: 54.34 CB :: 32.58 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.93 HA :: 4.46 HB2 :: 2.12 HB3 :: 2.12 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.35 Ave N Shift Values>> N :: 120.67(3.48) 1.D148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.21 F 0.12 K 0.11 Y 0.1 N 0.07 C 0.06 R 0.01 C Shift Assignments>> C :: 176.59 CA :: 55.16 CB :: 41.04 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.34 HA :: 4.47 HB2 :: 2.63 HB3 :: 2.38 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.55 Ave N Shift Values>> N :: 120.65(3.86) 1.A149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C 0.01 C Shift Assignments>> C :: 177.51 CA :: 51.87 CB :: 18.88 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.52 HA :: 4.53 HB1 :: 1.15 HB2 :: 1.15 HB3 :: 1.15 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.07 Ave N Shift Values>> N :: 123.23(3.54) 1.T150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 T 0.2 C Shift Assignments>> C :: 175.41 CA :: 59.79 CB :: 70.94 CG2 :: 24.07 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.89 HA :: 4.47 HB :: 4.02 HG21 :: 0.97 HG22 :: 0.97 HG23 :: 0.97 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.00 Ave N Shift Values>> N :: 115.42(4.75) 1.K151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.37 R 0.06 C Shift Assignments>> C :: 176.10 CA :: 55.07 CB :: 34.67 CG :: 24.72 CD :: 28.84 CE :: 41.95 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.14 HA :: 4.85 HB2 :: 1.40 HB3 :: 1.52 HG2 :: 1.23 HG3 :: 1.09 HD2 :: 1.33 HD3 :: 1.33 HE2 :: 2.76 HE3 :: 2.76 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.80 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.48 HN Overlap>> 1.M98 1.M98 C Shift Assignments>> C :: 174.80 CA :: 59.06 CB :: 41.29 CG1 :: 27.06 CG2 :: 18.14 CD1 :: 13.93 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.78 HA :: 4.52 HB :: 1.84 HG12 :: 1.37 HG13 :: 1.11 HG21 :: 0.77 HG22 :: 0.77 HG23 :: 0.77 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.42 Ave N Shift Values>> N :: 121.46(4.28) 1.T153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.T179 1.T179 C Shift Assignments>> C :: 174.40 CA :: 62.13 CB :: 69.54 CG2 :: 21.74 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.27 HA :: 4.54 HB :: 3.86 HG21 :: 0.92 HG22 :: 0.92 HG23 :: 0.92 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.16 Ave N Shift Values>> N :: 115.42(4.75) 1.V154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 176.32 CA :: 62.05 CB :: 32.57 CG1 :: 21.81 CG2 :: 21.81 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.63 HA :: 4.00 HB :: 2.13 HG11 :: 0.77 HG12 :: 0.77 HG13 :: 0.77 HG21 :: 0.77 HG22 :: 0.77 HG23 :: 0.77 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.42 Ave N Shift Values>> N :: 121.14(4.54) 1.R155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.43 G 0.06 K 0.03 C Shift Assignments>> C :: 177.45 CA :: 58.25 CB :: 30.17 CG :: 27.24 CD :: 43.35 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.36 HA :: 3.95 HB2 :: 1.70 HB3 :: 1.70 HG2 :: 1.55 HG3 :: 1.55 HD2 :: 3.04 HD3 :: 3.04 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.43 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.78 CA :: 59.50 CB :: 62.30 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.93 HA :: 4.01 HB2 :: 3.69 HB3 :: 3.69 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.82 Ave N Shift Values>> N :: 116.28(3.52) 1.N157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.18 C 0.08 F 0.06 Y 0.06 L 0.04 C Shift Assignments>> C :: 174.66 CA :: 52.81 CB :: 38.90 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.49 HA :: 4.57 HB2 :: 2.63 HB3 :: 2.72 HD21 :: 6.52 HD22 :: 7.21 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.43 ND2 :: 110.66 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.12 C 0.11 Y 0.07 F 0.07 L 0.03 E 0.01 M 0.01 C Shift Assignments>> C :: 174.18 CA :: 53.30 CB :: 38.27 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.09 HA :: 4.30 HB2 :: 2.82 HB3 :: 2.59 HD21 :: 7.37 HD22 :: 6.67 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.05 ND2 :: 112.47 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.34 K 0.16 G 0.04 C Shift Assignments>> C :: 175.15 CA :: 55.63 CB :: 31.86 CG :: 27.49 CD :: 43.06 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.63 HA :: 4.25 HB2 :: 1.53 HB3 :: 1.62 HG2 :: 1.40 HG3 :: 1.40 HD2 :: 3.01 HD3 :: 3.01 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.65 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.33 M 0.2 HN Overlap>> 1.F206 1.F206 C Shift Assignments>> C :: 176.15 CA :: 55.58 CB :: 31.60 CG :: 37.02 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.33 HA :: 4.86 HB2 :: 1.75 HB3 :: 1.67 HG2 :: 2.04 HG3 :: 1.92 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.67 Ave N Shift Values>> N :: 120.67(3.48) 1.V161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.39 C Shift Assignments>> C :: 173.62 CA :: 60.51 CB :: 35.91 CG1 :: 21.29 CG2 :: 21.29 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.89 HA :: 4.38 HB :: 1.92 HG11 :: 1.00 HG12 :: 1.00 HG13 :: 1.00 HG21 :: 1.00 HG22 :: 1.00 HG23 :: 1.00 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.55 Ave N Shift Values>> N :: 121.14(4.54) 1.A162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.03 C 0.02 L 0.01 C Shift Assignments>> C :: 175.81 CA :: 51.77 CB :: 20.14 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.35 HA :: 4.73 HB1 :: 1.18 HB2 :: 1.18 HB3 :: 1.18 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.07 Ave N Shift Values>> N :: 123.23(3.54) 1.K163 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.63 K 0.24 R 0.05 A 0.03 G 0.02 C Shift Assignments>> C :: 174.71 CA :: 54.51 CB :: 36.38 CG :: 23.87 CD :: 30.13 CE :: 42.22 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.28 HA :: 4.55 HB2 :: 0.93(S) HB3 :: 0.93 HG2 :: 0.35(S) HG3 :: -0.03(S) HD2 :: 0.98 HD3 :: 0.98 HE2 :: 2.33 HE3 :: 2.33 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.68 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R164 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.42 C 0.35 K 0.09 I 0.05 Q 0.04 M 0.01 C Shift Assignments>> C :: 173.77 CA :: 55.47 CB :: 36.67 CG :: 28.87 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.21 HA :: 4.26 HB2 :: 1.41 HB3 :: 1.11 HG2 :: 0.95 HG3 :: 0.12(S) HD2 :: 3.51 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.42 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N165 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.64 D 0.13 C 0.09 F 0.04 Y 0.04 L 0.02 HN Overlap>> 1.V23 1.V23 C Shift Assignments>> C :: 173.70 CA :: 52.06 CB :: 38.52 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.31 HA :: 5.03 HB2 :: 1.70(S) HB3 :: 2.26 HD21 :: 6.50 HD22 :: 7.24 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 126.87 ND2 :: 112.36 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 I 0.18 HN Overlap>> 1.T81 1.T81 C Shift Assignments>> C :: 180.85 CA :: 59.14 CB :: 40.44 CG1 :: 31.52 CG2 :: 17.27 CD1 :: 14.16 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.71 HA :: 4.38 HB :: 1.72 HG12 :: 0.71 HG13 :: 0.90 HG21 :: 0.06 HG22 :: 0.06 HG23 :: 0.06 HD11 :: 0.08 HD12 :: 0.08 HD13 :: 0.08 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.63 Ave N Shift Values>> N :: 121.46(4.28) 1.Y167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 HN Overlap>> 1.D186 1.D186 C Shift Assignments>> C :: 174.95 CA :: 57.30 CB :: 38.68 CD1 :: 132.69 CD2 :: 132.69 CE1 :: 119.02 CE2 :: 119.02 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.88 HA :: 5.03 HB2 :: 2.67 HB3 :: 2.50 HD1 :: 6.70 HD2 :: 6.70 HE1 :: 6.53 HE2 :: 6.53 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.84 Ave N Shift Values>> N :: 120.52(4.2) 1.L168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.26 C 0.12 A 0.01 C Shift Assignments>> C :: 174.52 CA :: 52.77 CB :: 45.68 CG :: 26.95 CD1 :: 25.76 CD2 :: 23.93 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.68 HA :: 5.28 HB2 :: 1.42 HB3 :: 0.74 HG :: 1.23 HD11 :: 0.37 HD12 :: 0.37 HD13 :: 0.37 HD21 :: 0.44 HD22 :: 0.44 HD23 :: 0.44 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.71 Ave N Shift Values>> N :: 121.86(3.9) 1.M169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 C 0.45 M 0.04 I 0.02 HN Overlap>> 1.F77 1.F77 C Shift Assignments>> C :: 174.66 CA :: 54.06 CB :: 39.32 CG :: 30.74 CE :: 16.82 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.58 HA :: 5.46 HB2 :: 1.81 HB3 :: 1.81 HG2 :: 2.35 HG3 :: 2.89 HE1 :: 1.75 HE2 :: 1.75 HE3 :: 1.75 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.29 Ave N Shift Values>> N :: 120.09(3.57) 1.D170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.21 N 0.17 K 0.07 C 0.05 F 0.04 Y 0.03 R 0.02 C Shift Assignments>> C :: 175.61 CA :: 52.08 CB :: 41.51 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.15 HA :: 4.79 HB2 :: 3.23 HB3 :: 2.76 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.60 Ave N Shift Values>> N :: 120.65(3.86) 1.T171 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.9 C 0.08 C Shift Assignments>> C :: 174.74 CA :: 63.00 CB :: 67.80 CG2 :: 21.20 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.84 HA :: 1.65(S) HB :: 3.28 HG21 :: 0.55 HG22 :: 0.55 HG23 :: 0.55 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 103.86 Ave N Shift Values>> N :: 115.42(4.75) 1.S172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.43 CA :: 59.62 CB :: 63.71 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.76 HA :: 4.02 HB2 :: 3.71 HB3 :: 3.71 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.73 Ave N Shift Values>> N :: 116.28(3.52) 1.G173 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.3 G 0.16 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 181.27(S) CA :: 43.77 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.31 HA2 :: 3.71 HA3 :: 3.71 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.62 Ave N Shift Values>> N :: 109.67(3.87) 1.K174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.31 R 0.18 G 0.01 HN Overlap>> 1.Q193 1.Q193 1.V4 1.V4 C Shift Assignments>> C :: 173.78 CA :: 54.96 CB :: 33.08 CG :: 25.46 CD :: 28.49 CE :: 42.28 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.73 HA :: 4.18 HB2 :: 1.49 HB3 :: 1.49 HG2 :: 1.15 HG3 :: 1.15 HD2 :: 1.46 HD3 :: 1.46 HE2 :: 2.87 HE3 :: 2.87 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.76 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.37 C Shift Assignments>> C :: 176.17 CA :: 59.60 CB :: 34.94 CG1 :: 22.25 CG2 :: 22.25 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.62 HA :: 5.17 HB :: 1.72 HG11 :: 0.81 HG12 :: 0.81 HG13 :: 0.81 HG21 :: 0.81 HG22 :: 0.81 HG23 :: 0.81 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.18 Ave N Shift Values>> N :: 121.14(4.54) 1.V176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.29 C Shift Assignments>> C :: 181.02 CA :: 58.79 CB :: 34.91 CG1 :: 20.33 CG2 :: 21.98 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.07 HA :: 4.62 HB :: 1.69 HG11 :: 0.60 HG12 :: 0.60 HG13 :: 0.60 HG21 :: 0.79 HG22 :: 0.79 HG23 :: 0.79 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.74 Ave N Shift Values>> N :: 121.14(4.54) 1.T177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.I29 1.K87 1.F100 1.I29 1.K87 1.F100 C Shift Assignments>> C :: 173.12 CA :: 62.16 CB :: 69.27 CG2 :: 21.62 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.31 HA :: 4.39 HB :: 3.86 HG21 :: 0.71 HG22 :: 0.71 HG23 :: 0.71 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 124.16 Ave N Shift Values>> N :: 115.42(4.75) 1.A178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 G 0.06 C 0.02 C Shift Assignments>> C :: 174.80 CA :: 49.03 CB :: 20.42 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.89 HA :: 5.15 HB1 :: 0.70 HB2 :: 0.70 HB3 :: 0.70 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.85 Ave N Shift Values>> N :: 123.23(3.54) 1.T179 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.75 C 0.24 HN Overlap>> 1.T153 1.T153 C Shift Assignments>> C :: 180.77(S) CA :: 62.14 CB :: 70.40 CG2 :: 23.22 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.32 HA :: 4.44 HB :: 3.55 HG21 :: 0.18(S) HG22 :: 0.18(S) HG23 :: 0.18(S) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.26 Ave N Shift Values>> N :: 115.42(4.75) 1.L180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 G 0.25 C 0.18 R 0.11 A 0.02 C Shift Assignments>> C :: 175.28 CA :: 53.34 CB :: 44.10 CG :: 27.95 CD1 :: 26.00 CD2 :: 23.66 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.38 HA :: 4.53 HB2 :: 0.93 HB3 :: 1.14 HG :: 1.23 HD11 :: 0.12 HD12 :: 0.12 HD13 :: 0.12 HD21 :: 0.32 HD22 :: 0.32 HD23 :: 0.32 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.25 Ave N Shift Values>> N :: 121.86(3.9) 1.W181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 W 0.23 C Shift Assignments>> C :: 178.49 CA :: 55.59 CB :: 33.93 CD1 :: 128.02 CE3 :: 120.31 CZ2 :: 115.88 CZ3 :: 121.67 CH2 :: 125.30 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.08 HA :: 5.28 HB2 :: 3.12 HB3 :: 2.84 HD1 :: 7.28 HE1 :: 9.50 HE3 :: 7.52 HZ2 :: 7.23 HZ3 :: 6.65 HH2 :: 7.08 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.80 NE1 :: 128.80 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 175.63 CA :: 46.14 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.28 HA2 :: 4.00 HA3 :: 4.00 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.66 Ave N Shift Values>> N :: 109.67(3.87) 1.E183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.33 I 0.19 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> C :: 178.26 CA :: 59.70 CB :: 29.51 CG :: 36.36 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.90 HA :: 3.97 HB2 :: 1.92 HB3 :: 1.92 HG2 :: 2.21 HG3 :: 2.21 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.28 Ave N Shift Values>> N :: 120.67(3.48) 1.D184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 D 0.13 L 0.12 C 0.11 I 0.04 K 0.04 N 0.02 HN Overlap>> 1.T56 1.T56 1.S2 1.S2 C Shift Assignments>> C :: 178.28 CA :: 57.13 CB :: 40.31 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.97 HA :: 4.22 HB2 :: 2.73 HB3 :: 2.31 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.23 Ave N Shift Values>> N :: 120.65(3.86) 1.A185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.46 C 0.02 I 0.01 C Shift Assignments>> C :: 179.69 CA :: 54.45 CB :: 18.00 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.73 HA :: 3.53 HB1 :: 0.94 HB2 :: 0.94 HB3 :: 0.94 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.12 Ave N Shift Values>> N :: 123.23(3.54) 1.D186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.18 L 0.15 Y 0.13 R 0.08 C 0.08 D 0.06 I 0.02 HN Overlap>> 1.Y167 1.Y167 C Shift Assignments>> C :: 177.87 CA :: 57.83 CB :: 41.88 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.79 HA :: 4.13 HB2 :: 2.45 HB3 :: 2.45 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.82 Ave N Shift Values>> N :: 120.65(3.86) 1.K187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.38 R 0.15 C Shift Assignments>> C :: 176.06 CA :: 56.32 CB :: 32.82 CG :: 25.48 CD :: 29.13 CE :: 42.03 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.75 HA :: 4.03 HB2 :: 1.72 HB3 :: 1.72 HG2 :: 1.37 HG3 :: 1.37 HD2 :: 1.48 HD3 :: 1.48 HE2 :: 2.79 HE3 :: 2.79 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.50 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 173.32 CA :: 60.32 CB :: 39.70 CD1 :: 130.95 CD2 :: 130.95 CE1 :: 130.39 CE2 :: 130.39 CZ :: 128.75 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 6.72 HA :: 3.78 HB2 :: 3.21 HB3 :: 2.20 HD1 :: 6.64 HD2 :: 6.64 HE1 :: 6.60 HE2 :: 6.60 HZ :: 6.96 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.77 Ave N Shift Values>> N :: 120.45(4.18) 1.D189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.2 N 0.18 K 0.06 C 0.05 F 0.04 Y 0.03 R 0.01 C Shift Assignments>> C :: 175.07 CA :: 51.96 CB :: 41.47 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.23 HA :: 4.15 HB2 :: 2.41 HB3 :: 2.16 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.05 Ave N Shift Values>> N :: 120.65(3.86) 1.G190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.11 CA :: 45.34 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.50 HA2 :: 3.84 HA3 :: 3.84 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.79 Ave N Shift Values>> N :: 109.67(3.87) 1.S191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T117 1.T117 C Shift Assignments>> C :: 173.30 CA :: 55.76 CB :: 63.63 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.09 HA :: 4.47 HB2 :: 3.69 HB3 :: 3.69 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.34 Ave N Shift Values>> N :: 116.28(3.52) 1.R192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.15 W 0.13 E 0.13 C 0.12 Q 0.12 M 0.09 K 0.06 HN Overlap>> 1.V71 1.V71 C Shift Assignments>> C :: 174.87 CA :: 56.11 CB :: 30.55 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.20 HA :: 4.05 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.21 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Q 0.27 E 0.12 K 0.1 R 0.07 I 0.01 HN Overlap>> 1.K174 1.K174 C Shift Assignments>> CA :: 55.23 CB :: 27.07 CG :: 34.95 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.77 HA :: 4.06 HB2 :: 1.40 HB3 :: 1.44 HG2 :: 2.21 HG3 :: 2.38 HE21 :: 6.94 HE22 :: 7.73 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.82 NE2 :: 112.79 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.9 P 0.09 C Shift Assignments>> C :: 176.99 CA :: 62.61 CB :: 34.34 CG :: 24.70 CD :: 50.09 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.58 HB2 :: 1.96 HB3 :: 2.22 HG2 :: 1.67 HG3 :: 1.76 HD2 :: 3.38 HD3 :: 3.38 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 174.77 CA :: 62.68 CB :: 33.45 CG1 :: 22.44 CG2 :: 22.44 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.61 HA :: 4.05 HB :: 1.90 HG11 :: 0.87 HG12 :: 0.87 HG13 :: 0.87 HG21 :: 0.57 HG22 :: 0.57 HG23 :: 0.57 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.54 Ave N Shift Values>> N :: 121.14(4.54) 1.L196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.3 C 0.15 R 0.01 C Shift Assignments>> C :: 174.17 CA :: 53.23 CB :: 44.73 CG :: 26.53 CD1 :: 26.16 CD2 :: 26.16 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.96 HA :: 4.95 HB2 :: 0.90 HB3 :: 1.32 HG :: 0.90 HD11 :: 0.68 HD12 :: 0.68 HD13 :: 0.68 HD21 :: 0.68 HD22 :: 0.68 HD23 :: 0.68 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.40 Ave N Shift Values>> N :: 121.86(3.9) 1.A197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 C 0.04 L 0.03 G 0.01 C Shift Assignments>> C :: 175.43 CA :: 49.56 CB :: 21.16 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.51 HA :: 5.04 HB1 :: 0.82 HB2 :: 0.82 HB3 :: 0.82 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.50 Ave N Shift Values>> N :: 123.23(3.54) 1.I198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 174.63 CA :: 59.92 CB :: 40.48 CG1 :: 27.32 CG2 :: 18.48 CD1 :: 12.57 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.39 HA :: 4.92 HB :: 1.50 HG12 :: 1.24 HG13 :: 1.24 HG21 :: 0.63 HG22 :: 0.63 HG23 :: 0.63 HD11 :: 0.33 HD12 :: 0.33 HD13 :: 0.33 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.24 Ave N Shift Values>> N :: 121.46(4.28) 1.K199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.35 R 0.05 A 0.02 G 0.01 C Shift Assignments>> C :: 177.37 CA :: 53.27 CB :: 34.57 CG :: 24.15 CD :: 28.35 CE :: 41.98 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.18 HA :: 4.82 HB2 :: 1.82 HB3 :: 1.82 HG2 :: 1.13 HG3 :: 1.19 HD2 :: 1.35 HD3 :: 1.40 HE2 :: 2.64 HE3 :: 2.64 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.11 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 P 0.25 A 0.11 C 0.1 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 177.67 CA :: 48.08 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.94 HA2 :: 3.60 HA3 :: 3.70 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.02 Ave N Shift Values>> N :: 109.67(3.87) 1.A201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.03 C 0.01 C Shift Assignments>> C :: 174.81 CA :: 51.34 CB :: 19.75 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.90 HA :: 4.41 HB1 :: 1.09 HB2 :: 1.09 HB3 :: 1.09 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.23 Ave N Shift Values>> N :: 123.23(3.54) 1.R202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.33 G 0.14 K 0.07 C Shift Assignments>> C :: 176.42 CA :: 54.53 CB :: 33.86 CG :: 27.25 CD :: 43.52 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.51 HA :: 5.05 HB2 :: 1.65 HB3 :: 1.50 HG2 :: 1.35 HG3 :: 1.35 HD2 :: 3.01 HD3 :: 3.01 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.72 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 HN Overlap>> 1.D48 1.D48 C Shift Assignments>> C :: 176.15 CA :: 64.33 CB :: 31.63 CG1 :: 22.24 CG2 :: 23.17 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.84 HA :: 3.91 HB :: 2.00 HG11 :: 0.72 HG12 :: 0.72 HG13 :: 0.72 HG21 :: 0.72 HG22 :: 0.72 HG23 :: 0.72 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.47 Ave N Shift Values>> N :: 121.14(4.54) 1.S204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.18 CA :: 58.37 CB :: 64.29 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.82 HA :: 4.46 HB2 :: 3.66 HB3 :: 3.66 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 125.79 Ave N Shift Values>> N :: 116.28(3.52) 1.D205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.26 K 0.11 N 0.08 R 0.06 F 0.05 C 0.04 Y 0.03 HN Overlap>> 1.F120 1.F120 C Shift Assignments>> C :: 176.03 CA :: 52.95 CB :: 41.97 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.01 HA :: 4.71 HB2 :: 2.68 HB3 :: 2.38 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.82 Ave N Shift Values>> N :: 120.65(3.86) 1.F206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.37 HN Overlap>> 1.E160 1.E160 C Shift Assignments>> C :: 176.85 CA :: 58.95 CB :: 38.48 CD1 :: 131.29 CD2 :: 131.29 CE1 :: 131.19 CE2 :: 131.19 CZ :: 129.59 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.35 HA :: 4.33 HB2 :: 2.90 HB3 :: 2.90 HD1 :: 7.17 HD2 :: 7.17 HE1 :: 7.24 HE2 :: 7.24 HZ :: 7.19 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.73 Ave N Shift Values>> N :: 120.45(4.18) 1.G207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.75 CA :: 45.79 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.48 HA2 :: 3.70 HA3 :: 3.54 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.56 Ave N Shift Values>> N :: 109.67(3.87) 1.G208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 176.04 CA :: 46.04 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.68 HA2 :: 4.12 HA3 :: 3.32 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.36 Ave N Shift Values>> N :: 109.67(3.87) 1.R209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.33 R 0.15 C Shift Assignments>> C :: 175.17 CA :: 55.18 CB :: 32.27 CG :: 28.84 CD :: 41.97 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.64 HA :: 4.60 HB2 :: 1.76 HB3 :: 1.76 HG2 :: 1.48 HG3 :: 1.48 HD2 :: 2.79 HD3 :: 2.79 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.09 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S210 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 181.13(S) CA :: 56.74 CB :: 65.39 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.32 HA :: 4.73 HB2 :: 3.61 HB3 :: 3.73 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.25 Ave N Shift Values>> N :: 116.28(3.52) 1.L211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.21 C 0.13 A 0.01 C Shift Assignments>> C :: 176.38 CA :: 52.95 CB :: 45.70 CG :: 26.61 CD1 :: 26.66 CD2 :: 24.22 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.66 HA :: 5.27 HB2 :: 0.95 HB3 :: 1.40 HG :: 1.44 HD11 :: 0.49 HD12 :: 0.49 HD13 :: 0.49 HD21 :: 0.58 HD22 :: 0.58 HD23 :: 0.58 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.13 Ave N Shift Values>> N :: 121.86(3.9) 1.S212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.18 CA :: 56.70 CB :: 64.12 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.42 HA :: 4.76 HB2 :: 3.70 HB3 :: 3.70 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.99 Ave N Shift Values>> N :: 116.28(3.52) 1.V213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 175.15 CA :: 63.44 CB :: 29.72 CG1 :: 22.07 CG2 :: 21.60 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.64 HA :: 3.83 HB :: 2.31 HG11 :: 0.77 HG12 :: 0.77 HG13 :: 0.77 HG21 :: 0.58 HG22 :: 0.58 HG23 :: 0.58 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.68 Ave N Shift Values>> N :: 121.14(4.54) 1.L214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 A 0.2 G 0.19 C 0.14 R 0.05 C Shift Assignments>> CA :: 53.08 CB :: 43.83 CG :: 27.00 CD1 :: 25.89 CD2 :: 21.99 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.08 HA :: 4.50 HB2 :: 1.78 HB3 :: 1.78 HG :: 1.52 HD11 :: 0.71 HD12 :: 0.71 HD13 :: 0.71 HD21 :: 0.58 HD22 :: 0.58 HD23 :: 0.58 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.93 Ave N Shift Values>> N :: 121.86(3.9) 1.S215 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.49 CA :: 57.08 CB :: 63.37 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.15 HA :: 4.25 HB2 :: 3.60 HB3 :: 3.60 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.S217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.87 CA :: 57.83 CB :: 63.30 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.58 HA :: 4.52 HB2 :: 3.72 HB3 :: 3.72 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.84 Ave N Shift Values>> N :: 116.28(3.52) 1.T218 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 181.33(S) CA :: 62.34 CB :: 71.30 CG2 :: 21.77 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.30 HA :: 4.54 HB :: 3.74 HG21 :: 1.05 HG22 :: 1.05 HG23 :: 1.05 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.49 Ave N Shift Values>> N :: 115.42(4.75) 1.I219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 175.19 CA :: 60.69 CB :: 40.05 CG1 :: 27.65 CG2 :: 17.91 CD1 :: 13.63 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.77 HA :: 4.61 HB :: 1.59 HG12 :: 1.40 HG13 :: 1.40 HG21 :: 0.65 HG22 :: 0.65 HG23 :: 0.65 HD11 :: 0.65 HD12 :: 0.65 HD13 :: 0.65 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.80 Ave N Shift Values>> N :: 121.46(4.28) 1.I220 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 C Shift Assignments>> C :: 174.32 CA :: 60.12 CB :: 40.61 CG1 :: 27.45 CG2 :: 18.72 CD1 :: 13.67 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.22 HA :: 4.26 HB :: 1.70 HG12 :: 1.36 HG13 :: 1.07 HG21 :: 0.74 HG22 :: 0.74 HG23 :: 0.74 HD11 :: 0.79 HD12 :: 0.79 HD13 :: 0.79 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 128.77 Ave N Shift Values>> N :: 121.46(4.28) 1.A221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.04 C 0.01 C Shift Assignments>> C :: 176.79 CA :: 50.73 CB :: 19.13 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.60 HA :: 4.80 HB1 :: 1.11 HB2 :: 1.11 HB3 :: 1.11 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.52 Ave N Shift Values>> N :: 123.23(3.54) 1.N222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 C 0.15 Y 0.08 D 0.07 F 0.07 E 0.05 M 0.03 L 0.01 C Shift Assignments>> CA :: 53.61 CB :: 37.67 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.72 HA :: 4.07 HB2 :: 2.67 HB3 :: 2.54 HD21 :: 6.73 HD22 :: 7.66 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.40 ND2 :: 116.55 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P223 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 176.43 CA :: 62.31 CB :: 31.48 CG :: 26.89 CD :: 50.89 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.25 HB2 :: 2.12 HB3 :: 1.72 HG2 :: 1.86 HG3 :: 1.78 HD2 :: 3.68 HD3 :: 3.47 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.25 L 0.07 C 0.07 F 0.06 Y 0.05 HN Overlap>> 1.I125 1.I125 C Shift Assignments>> C :: 174.87 CA :: 52.81 CB :: 39.50 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.72 HA :: 4.72 HB2 :: 2.75 HB3 :: 2.45 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.73 Ave N Shift Values>> N :: 120.65(3.86) 1.I225 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 I 0.45 A 0.06 C Shift Assignments>> CA :: 57.52 CB :: 39.19 CG1 :: 25.57 CG2 :: 17.91 CD1 :: 12.64 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.05 HA :: 4.87 HB :: 2.21 HG12 :: 1.16 HG13 :: 1.28 HG21 :: 0.86 HG22 :: 0.86 HG23 :: 0.86 HD11 :: 0.65 HD12 :: 0.65 HD13 :: 0.65 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 113.06 Ave N Shift Values>> N :: 121.46(4.28) 1.P226 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 179.21 CA :: 65.90 CB :: 32.08 CG :: 27.48 CD :: 50.60 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.18 HB2 :: 1.82 HB3 :: 2.30 HG2 :: 1.93 HG3 :: 2.10 HD2 :: 3.79 HD3 :: 3.79 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E227 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 I 0.37 E 0.19 K 0.01 C Shift Assignments>> C :: 176.04 CA :: 60.53 CB :: 29.44 CG :: 37.27 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 10.15 HA :: 3.67 HB2 :: 1.59 HB3 :: 1.48 HG2 :: 2.40 HG3 :: 2.19 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.21 Ave N Shift Values>> N :: 120.67(3.48) 1.A228 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.2 C 0.04 L 0.02 V 0.01 HN Overlap>> 1.D127 1.D127 C Shift Assignments>> C :: 178.57 CA :: 54.54 CB :: 19.58 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.44 HA :: 3.82 HB1 :: 1.27 HB2 :: 1.27 HB3 :: 1.27 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.77 Ave N Shift Values>> N :: 123.23(3.54) 1.Y229 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Y 0.49 C Shift Assignments>> C :: 179.55 CA :: 60.28 CB :: 37.15 CD1 :: 133.53 CD2 :: 133.53 CE1 :: 119.13 CE2 :: 119.13 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 6.94 HA :: 4.17 HB2 :: 3.15 HB3 :: 2.89 HD1 :: 7.05 HD2 :: 7.05 HE1 :: 6.67 HE2 :: 6.67 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.88 Ave N Shift Values>> N :: 120.52(4.2) 1.K230 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.43 R 0.08 C Shift Assignments>> C :: 179.09 CA :: 59.04 CB :: 32.25 CG :: 24.84 CD :: 29.71 CE :: 42.18 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.80 HA :: 3.95 HB2 :: 1.72 HB3 :: 1.72 HG2 :: 1.20 HG3 :: 1.20 HD2 :: 1.41 HD3 :: 1.55 HE2 :: 2.79 HE3 :: 2.79 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.73 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L231 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.31 R 0.18 G 0.01 HN Overlap>> 1.L128 1.L128 C Shift Assignments>> C :: 177.79 CA :: 58.43 CB :: 42.28 CG :: 28.01 CD1 :: 25.89 CD2 :: 25.62 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.31 HA :: 3.95 HB2 :: 1.44 HB3 :: 1.75 HG :: 1.54 HD11 :: 0.72 HD12 :: 0.72 HD13 :: 0.72 HD21 :: 0.82 HD22 :: 0.82 HD23 :: 0.82 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.72 Ave N Shift Values>> N :: 121.86(3.9) 1.R232 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.4 K 0.06 G 0.05 C Shift Assignments>> C :: 177.74 CA :: 59.49 CB :: 30.76 CG :: 26.47 CD :: 43.23 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.12 HA :: 3.84 HB2 :: 1.89 HB3 :: 1.75 HG2 :: 1.56 HG3 :: 1.63 HD2 :: 3.19 HD3 :: 3.12 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.75 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G233 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.05 C Shift Assignments>> C :: 176.50 CA :: 47.01 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.93 HA2 :: 3.83 HA3 :: 3.83 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.71 Ave N Shift Values>> N :: 109.67(3.87) 1.W234 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.48 HN Overlap>> 1.V62 1.V62 C Shift Assignments>> C :: 177.70 CA :: 61.05 CB :: 28.64 CD1 :: 127.46 CE3 :: 121.67 CZ2 :: 115.81 CZ3 :: 121.60 CH2 :: 124.11 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.89 HA :: 4.25 HB2 :: 3.30 HB3 :: 3.30 HD1 :: 7.12 HE1 :: 9.98 HE3 :: 7.55 HZ2 :: 7.22 HZ3 :: 6.66 HH2 :: 6.94 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.13 NE1 :: 131.72 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F235 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.24 HN Overlap>> 1.T123 1.T123 C Shift Assignments>> C :: 176.71 CA :: 61.70 CB :: 39.79 CD1 :: 131.19 CD2 :: 131.19 CE1 :: 131.12 CE2 :: 131.12 CZ :: 129.48 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.88 HA :: 4.46 HB2 :: 3.01 HB3 :: 3.01 HD1 :: 7.00 HD2 :: 7.00 HE1 :: 7.11 HE2 :: 7.11 HZ :: 7.14 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.56 Ave N Shift Values>> N :: 120.45(4.18) 1.D236 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 D 0.2 Y 0.18 L 0.15 C 0.09 N 0.06 K 0.04 I 0.02 C Shift Assignments>> C :: 176.91 CA :: 56.24 CB :: 40.36 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.17 HA :: 4.11 HB2 :: 2.54 HB3 :: 2.54 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.75 Ave N Shift Values>> N :: 120.65(3.86) 1.A237 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.12 C 0.02 L 0.01 C Shift Assignments>> C :: 178.00 CA :: 53.38 CB :: 19.51 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.14 HA :: 4.09 HB1 :: 1.28 HB2 :: 1.28 HB3 :: 1.28 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.16 Ave N Shift Values>> N :: 123.23(3.54) 1.E238 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.36 M 0.17 Q 0.05 K 0.02 I 0.01 C Shift Assignments>> C :: 177.33 CA :: 57.25 CB :: 31.12 CG :: 36.04 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.86 HA :: 3.99 HB2 :: 1.60 HB3 :: 1.26 HG2 :: 1.82 HG3 :: 1.82 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.20 Ave N Shift Values>> N :: 120.67(3.48) 1.G239 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 174.40 CA :: 46.38 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.44 HA2 :: 3.22 HA3 :: 2.60(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.64 Ave N Shift Values>> N :: 109.67(3.87) 1.Q240 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.26 C 0.24 R 0.12 M 0.03 E 0.02 C Shift Assignments>> C :: 175.28 CA :: 56.21 CB :: 28.22 CG :: 33.36 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.73 HA :: 3.54 HB2 :: 1.54 HB3 :: 1.46 HG2 :: 1.92 HG3 :: 1.85 HE21 :: 6.49 HE22 :: 7.17 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.58 NE2 :: 112.61 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A241 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.07 C 0.01 C Shift Assignments>> C :: 176.70 CA :: 51.69 CB :: 19.14 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.35 HA :: 4.16 HB1 :: 1.17 HB2 :: 1.17 HB3 :: 1.17 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.13 Ave N Shift Values>> N :: 123.23(3.54) 1.L242 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 L 0.46 R 0.02 A 0.01 C Shift Assignments>> CA :: 56.73 CB :: 41.06 CG :: 27.21 CD1 :: 22.83 CD2 :: 26.11 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.15 HA :: 3.91 HB2 :: 1.46 HB3 :: 1.46 HG :: 1.46 HD11 :: 0.70 HD12 :: 0.70 HD13 :: 0.70 HD21 :: 0.85 HD22 :: 0.85 HD23 :: 0.85 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.44 Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 212 #Clerical: 0 #Suspicious: 30 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 236 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 242 #Suspicious: 0 C Shift Results: #Consistent:1028 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 H Shift Results: #Consistent:1586 #Duplicate: 0 #Unknown: 0 #Suspicious: 48 #Anomalous: 0 N Shift Results: #Consistent: 247 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.I7 H = 10.70(S), Expected = 8.28, Std = 0.6800, ChiSquare = 3.7252e-04 1.L10 HB2 = 0.41(S), Expected = 1.61, Std = 0.3400, ChiSquare = 4.1648e-04 1.L10 HD11 = -0.51(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.7953e-06 1.L10 HD12 = -0.51(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.7953e-06 1.L10 HD13 = -0.51(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.7953e-06 1.L10 HD21 = -0.34(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2456e-04 1.L10 HD22 = -0.34(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2456e-04 1.L10 HD23 = -0.34(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2456e-04 1.P12 HD2 = 1.99(S), Expected = 3.65, Std = 0.3500, ChiSquare = 2.1072e-06 1.A21 CB = 25.45(S), Expected = 19.01, Std = 1.8300, ChiSquare = 4.3297e-04 1.K26 HE2 = 1.88(S), Expected = 2.92, Std = 0.1900, ChiSquare = 4.4077e-08 1.K26 HE3 = 1.96(S), Expected = 2.91, Std = 0.2000, ChiSquare = 2.0342e-06 1.I29 HG12 = -0.09(S), Expected = 1.28, Std = 0.4000, ChiSquare = 6.1480e-04 1.L46 HD11 = -0.30(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.7683e-04 1.L46 HD12 = -0.30(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.7683e-04 1.L46 HD13 = -0.30(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.7683e-04 1.G51 C = 180.74(S), Expected = 173.87, Std = 1.8800, ChiSquare = 2.5793e-04 1.T56 HG21 = 0.27(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.5519e-04 1.T56 HG22 = 0.27(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.5519e-04 1.T56 HG23 = 0.27(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.5519e-04 1.A57 HB1 = 0.43(S), Expected = 1.35, Std = 0.2600, ChiSquare = 4.0247e-04 1.A57 HB2 = 0.43(S), Expected = 1.35, Std = 0.2600, ChiSquare = 4.0247e-04 1.A57 HB3 = 0.43(S), Expected = 1.35, Std = 0.2600, ChiSquare = 4.0247e-04 1.K64 HG2 = 0.05(S), Expected = 1.37, Std = 0.2600, ChiSquare = 3.8360e-07 1.F66 HD1 = 5.97(S), Expected = 7.06, Std = 0.3100, ChiSquare = 4.3789e-04 1.F66 HD2 = 5.97(S), Expected = 7.06, Std = 0.3100, ChiSquare = 4.3789e-04 1.D95 HB2 = 1.60(S), Expected = 2.72, Std = 0.2600, ChiSquare = 1.6497e-05 1.T104 HG21 = 0.28(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.8466e-04 1.T104 HG22 = 0.28(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.8466e-04 1.T104 HG23 = 0.28(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.8466e-04 1.F120 HB2 = 1.66(S), Expected = 3.00, Std = 0.3700, ChiSquare = 2.9276e-04 1.F120 HB3 = 1.09(S), Expected = 2.93, Std = 0.4000, ChiSquare = 4.2249e-06 1.S135 C = 180.72(S), Expected = 174.62, Std = 1.7200, ChiSquare = 3.9037e-04 1.D138 HA = 5.82(S), Expected = 4.59, Std = 0.3200, ChiSquare = 1.2117e-04 1.I140 HB = 0.47(S), Expected = 1.78, Std = 0.2900, ChiSquare = 6.2650e-06 1.I140 HD11 = -0.32(S), Expected = 0.68, Std = 0.2900, ChiSquare = 5.6418e-04 1.I140 HD12 = -0.32(S), Expected = 0.68, Std = 0.2900, ChiSquare = 5.6418e-04 1.I140 HD13 = -0.32(S), Expected = 0.68, Std = 0.2900, ChiSquare = 5.6418e-04 1.I142 HG21 = -0.22(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.4573e-04 1.I142 HG22 = -0.22(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.4573e-04 1.I142 HG23 = -0.22(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.4573e-04 1.K144 N = 134.79(S), Expected = 121.05, Std = 3.7700, ChiSquare = 2.6785e-04 1.S145 CB = 57.11(S), Expected = 63.80, Std = 1.4800, ChiSquare = 6.1761e-06 1.K163 HB2 = 0.93(S), Expected = 1.78, Std = 0.2500, ChiSquare = 6.7386e-04 1.K163 HG2 = 0.35(S), Expected = 1.37, Std = 0.2600, ChiSquare = 8.7425e-05 1.K163 HG3 = -0.03(S), Expected = 1.35, Std = 0.2800, ChiSquare = 8.2833e-07 1.R164 HG3 = 0.12(S), Expected = 1.54, Std = 0.2900, ChiSquare = 9.7533e-07 1.N165 HB2 = 1.70(S), Expected = 2.81, Std = 0.3100, ChiSquare = 3.4275e-04 1.T171 HA = 1.65(S), Expected = 4.46, Std = 0.4800, ChiSquare = 4.7941e-09 1.G173 C = 181.27(S), Expected = 173.87, Std = 1.8800, ChiSquare = 8.2792e-05 1.T179 C = 180.77(S), Expected = 174.54, Std = 1.7600, ChiSquare = 4.0047e-04 1.T179 HG21 = 0.18(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.9941e-05 1.T179 HG22 = 0.18(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.9941e-05 1.T179 HG23 = 0.18(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.9941e-05 1.S210 C = 181.13(S), Expected = 174.62, Std = 1.7200, ChiSquare = 1.5378e-04 1.T218 C = 181.33(S), Expected = 174.54, Std = 1.7600, ChiSquare = 1.1434e-04 1.G239 HA3 = 2.60(S), Expected = 3.90, Std = 0.3700, ChiSquare = 4.4222e-04