Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.48 C 0.33 A 0.18 C Shift Assignments>> CA :: 55.1 CB :: 33.01 CG :: 30.9127 CE :: 17.081 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>> HA :: 4.0767 HB2 :: 2.2073 HB3 :: 2.2073 HG2 :: 2.6707 HG3 :: 2.612 HE1 :: 2.146 HE2 :: 2.146 HE3 :: 2.146 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) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent 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>> CA :: 44.2195 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.708 HA2 :: 4.3805 HA3 :: 3.5275 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.904 Ave N Shift Values>> N :: 109.67(3.87) 1.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> CA :: 63.1722 CB :: 32.5185 CG :: 27.057 CD :: 49.9333 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 :: 4.1077 HB2 :: 2.1073 HB3 :: 1.8598 HG2 :: 2.0364 HG3 :: 1.9167 HD2 :: 3.5906 HD3 :: 3.4534 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.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 C 0.18 M 0.18 C Shift Assignments>> CA :: 51.991 CB :: 33.184 CG :: 34.1725 CE :: 17.427 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 :: 7.933 HA :: 5.0515 HB2 :: 1.946 HB3 :: 1.7667 HG2 :: 2.7185 HG3 :: 2.5253 HE1 :: 2.121 HE2 :: 2.121 HE3 :: 2.121 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 :: 121.548 Ave N Shift Values>> N :: 120.09(3.57) 1.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> CA :: 62.6815 CB :: 31.8904 CG :: 27.9135 CD :: 50.5941 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 :: 4.2281 HB2 :: 2.2191 HB3 :: 1.5142 HG2 :: 1.9787 HG3 :: 1.877 HD2 :: 3.8685 HD3 :: 3.2789 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.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.43 R 0.05 C Shift Assignments>> CA :: 56.397 CB :: 32.4276 CG :: 24.602 CD :: 29.6318 CE :: 41.708 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 :: 8.277 HA :: 2.9163 HB2 :: 1.384 HB3 :: 1.2402 HG2 :: 1.5974 HG3 :: 1.345 HD2 :: 1.6402 HD3 :: 1.592 HE2 :: 2.8887 HE3 :: 2.804 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 :: 118.89 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L7 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> L 0.57 C 0.25 A 0.08 G 0.06 R 0.01 C Shift Assignments>> CA :: 54.851 CB :: 43.0856 CG :: 26.431 CD1 :: 22.4494 CD2 :: 24.47 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 :: 3.985(A) HA :: 3.8621 HB2 :: 1.0636 HB3 :: 0.8988 HG :: 0.87 HD11 :: 0.5299 HD12 :: 0.5299 HD13 :: 0.5299 HD21 :: -0.0656 HD22 :: -0.0656 HD23 :: -0.0656 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 :: 117.521 Ave N Shift Values>> N :: 121.86(3.9) 1.A8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 L 0.22 C 0.11 K 0.06 R 0.04 Q 0.01 H 0.01 C Shift Assignments>> CA :: 51.227 CB :: 25.594(S) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.571 HA :: 4.289 HB1 :: 1.7175 HB2 :: 1.7175 HB3 :: 1.7175 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 112.435 Ave N Shift Values>> N :: 123.23(3.54) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.28 D 0.11 K 0.11 F 0.07 C 0.05 Y 0.04 G 0.02 C Shift Assignments>> CA :: 55.862 CB :: 42.99 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 :: 9.275 HA :: 4.7135 HB2 :: 2.9007 HB3 :: 2.558 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 :: 120.141 Ave N Shift Values>> N :: 120.65(3.86) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.3 R 0.07 G 0.05 C Shift Assignments>> CA :: 54.8408 CB :: 35.6403 CG :: 28.1462 CD :: 42.75 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 :: 7.819 HA :: 5.2081 HB2 :: 1.998 HB3 :: 1.5848 HG2 :: 1.6529 HG3 :: 1.5571 HD2 :: 3.3033 HD3 :: 3.1109 HE :: 8.287 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 :: 119.051 NE :: 85.282 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.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 L 0.1 K 0.07 A 0.05 C Shift Assignments>> CA :: 54.227 CB :: 37.22 CG :: 23.879 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 :: 9.368 HA :: 4.9037 HB2 :: 1.534 HB3 :: 1.534 HG2 :: 1.304 HG3 :: 1.186 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 :: 117.579 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 G 0.2 C 0.14 A 0.02 R 0.01 C Shift Assignments>> CA :: 53.0254 CB :: 43.8964 CG :: 26.973 CD1 :: 24.8782 CD2 :: 23.7213 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 :: 8.887 HA :: 5.2662 HB2 :: 1.3631 HB3 :: 1.5123 HG :: 1.3237 HD11 :: 0.7996 HD12 :: 0.7996 HD13 :: 0.7996 HD21 :: 0.7226 HD22 :: 0.7226 HD23 :: 0.7226 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 :: 120.259 Ave N Shift Values>> N :: 121.86(3.9) 1.C13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 G 0.05 L 0.01 C Shift Assignments>> CA :: 53.323 CB :: 50.3 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.174 HA :: 5.0915 HB2 :: 4.099 HB3 :: 3.368 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 :: 118.223 Ave N Shift Values>> N :: 120.17(4.64) 1.A14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.81 M 0.12 C 0.03 L 0.01 C Shift Assignments>> CA :: 53.547 CB :: 19.587 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 10.342(S) HA :: 4.5205 HB1 :: 1.252 HB2 :: 1.252 HB3 :: 1.252 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.217 Ave N Shift Values>> N :: 123.23(3.54) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.25 R 0.17 G 0.09 C 0.05 K 0.05 F 0.03 Y 0.01 C Shift Assignments>> CA :: 52.245 CB :: 42.992 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 :: 7.601 HA :: 4.671 HB2 :: 2.954 HB3 :: 2.7817 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 :: 111.189 Ave N Shift Values>> N :: 120.65(3.86) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.25 Q 0.24 E 0.05 R 0.05 I 0.02 M 0.01 C Shift Assignments>> CA :: 58.97 CB :: 28.6258 CG :: 33.8 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 :: 8.999 HA :: 3.9177 HB2 :: 2.17 HB3 :: 2.1135 HG2 :: 2.4658 HG3 :: 2.4658 HE21 :: 7.547 HE22 :: 6.897 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 :: 118.165 NE2 :: 111.981 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.26 C 0.26 Q 0.21 K 0.2 M 0.02 I 0.01 R 0.01 C Shift Assignments>> CA :: 55.57 CB :: 28.7961 CG :: 35.3188 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 :: 7.834 HA :: 4.3822 HB2 :: 2.2317 HB3 :: 1.8375 HG2 :: 2.3775 HG3 :: 2.3156 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 :: 113.762 Ave N Shift Values>> N :: 120.67(3.48) 1.C18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.1 L 0.06 F 0.01 C Shift Assignments>> CA :: 58.602 CB :: 46.1555 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.436 HA :: 4.729 HB2 :: 3.672 HB3 :: 3.221 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 :: 120.024 Ave N Shift Values>> N :: 120.17(4.64) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> CA :: 59.3945 CB :: 65.4595 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.82 HA :: 4.3703 HB2 :: 3.537 HB3 :: 3.793 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 :: 112.698 Ave N Shift Values>> N :: 116.28(3.52) 1.H20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.44 W 0.36 C 0.18 C Shift Assignments>> CA :: 52.7965 CB :: 29.57 CD2 :: 120.335 CE1 :: 136.396 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.166 HA :: 4.9865 HB2 :: 3.311 HB3 :: 2.738 HD2 :: 7.308 HE1 :: 8.445 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 :: 120.361 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> CA :: 63.0436 CB :: 30.8169 CG :: 26.7337 CD :: 50.0885 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 :: 3.5212 HB2 :: 1.5007 HB3 :: 1.006 HG2 :: 1.7333 HG3 :: 1.4 HD2 :: 3.548 HD3 :: 3.393 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.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> CA :: 62.0703 CB :: 41.1935 CG1 :: 28.6292 CG2 :: 16.1672 CD1 :: 14.4748 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 :: 9.128 HA :: 4.3436 HB :: 1.2736 HG12 :: 1.7701 HG13 :: 0.5961 HG21 :: 0.7852 HG22 :: 0.7852 HG23 :: 0.7852 HD11 :: 0.5187 HD12 :: 0.5187 HD13 :: 0.5187 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 :: 120.55 Ave N Shift Values>> N :: 121.46(4.28) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.23 CB :: 65.463 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.62 HA :: 4.932 HB2 :: 3.8285 HB3 :: 3.8285 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 :: 108.882 Ave N Shift Values>> N :: 116.28(3.52) 1.M24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.31 A 0.22 C Shift Assignments>> CA :: 54.4455 CB :: 35.6091 CG :: 31.8753 CE :: 16.744 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 :: 8.561 HA :: 4.9145 HB2 :: 1.7969 HB3 :: 1.9409 HG2 :: 2.197 HG3 :: 2.0383 HE1 :: 1.843 HE2 :: 1.843 HE3 :: 1.843 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 :: 117.024 Ave N Shift Values>> N :: 120.09(3.57) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 A 0.23 C 0.22 K 0.04 P 0.04 C Shift Assignments>> CA :: 49.957 CB :: 23.425 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.433 HA :: 5.2885 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 :: 127.604 Ave N Shift Values>> N :: 123.23(3.54) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.43 C Shift Assignments>> CA :: 60.0093 CB :: 34.967 CG1 :: 21.692 CG2 :: 20.485 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 :: 8.404 HA :: 4.8356 HB :: 1.7967 HG11 :: 0.868 HG12 :: 0.868 HG13 :: 0.868 HG21 :: 0.842 HG22 :: 0.842 HG23 :: 0.842 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 :: 118.605 Ave N Shift Values>> N :: 121.14(4.54) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.02 L 0.01 C Shift Assignments>> CA :: 52.648 CB :: 19.593 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.81 HA :: 4.561 HB1 :: 1.3955 HB2 :: 1.3955 HB3 :: 1.3955 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.297 Ave N Shift Values>> N :: 123.23(3.54) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.29 A 0.1 R 0.09 G 0.08 C Shift Assignments>> CA :: 55.186 CB :: 43.2483 CG :: 26.8757 CD1 :: 22.0767 CD2 :: 25.417 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 :: 9.749 HA :: 4.2766 HB2 :: 1.6178 HB3 :: 1.6178 HG :: 1.572 HD11 :: 0.794 HD12 :: 0.794 HD13 :: 0.794 HD21 :: 0.7807 HD22 :: 0.7807 HD23 :: 0.7807 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 :: 125.932 Ave N Shift Values>> N :: 121.86(3.9) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.32 C 0.22 K 0.18 H 0.09 R 0.08 W 0.04 E 0.01 Q 0.01 C Shift Assignments>> CA :: 53.483 CB :: 33.2975 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 :: 7.416 HA :: 4.546 HB2 :: 2.2345 HB3 :: 1.8782 HE21 :: 7.548 HE22 :: 6.881 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 :: 112.942 NE2 :: 111.6285 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.28 K 0.16 F 0.07 R 0.07 Y 0.05 C 0.05 C Shift Assignments>> CA :: 54.272 CB :: 41.915 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 :: 8.302 HA :: 4.843 HB2 :: 2.6697 HB3 :: 2.5887 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 :: 117.488 Ave N Shift Values>> N :: 120.65(3.86) 1.Y31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.32 G 0.12 C Shift Assignments>> CA :: 58.3035 CB :: 43.0295 CD1 :: 134.119 CD2 :: 134.119 CE1 :: 117.998 CE2 :: 117.998 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 :: 9.145 HA :: 4.615 HB2 :: 2.6407 HB3 :: 2.9067 HD1 :: 7.401 HD2 :: 7.401 HE1 :: 6.933 HE2 :: 6.933 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 :: 123.302 Ave N Shift Values>> N :: 120.52(4.2) 1.M32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 A 0.38 C 0.16 C Shift Assignments>> CA :: 52.8 CB :: 32.334 CG :: 32.0135 CE :: 17.133 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 :: 7.984 HA :: 4.503 HB2 :: 1.724 HB3 :: 1.724 HG2 :: 2.4784 HG3 :: 2.3518 HE1 :: 1.974 HE2 :: 1.974 HE3 :: 1.974 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 :: 127.123 Ave N Shift Values>> N :: 120.09(3.57) 1.A33 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 M 0.01 C Shift Assignments>> CA :: 50.926 CB :: 20.676 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.856 HA :: 4.037 HB1 :: 1.322 HB2 :: 1.322 HB3 :: 1.322 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.65 Ave N Shift Values>> N :: 123.23(3.54) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.52 C 0.45 S 0.02 C Shift Assignments>> CA :: 64.3038 CB :: 32.5594 CG :: 27.0557 CD :: 52.459 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 :: 4.2482 HB2 :: 2.1359 HB3 :: 1.6897 HG2 :: 1.5057 HG3 :: 1.3433 HD2 :: 3.7849 HD3 :: 3.2322 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.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.3 K 0.13 R 0.08 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> CA :: 53.466 CB :: 42.116 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 :: 7.409 HA :: 4.58 HB2 :: 3.0595 HB3 :: 3.0595 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 :: 108.892 Ave N Shift Values>> N :: 120.65(3.86) 1.C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.2 Y 0.15 L 0.12 C 0.09 R 0.08 D 0.04 I 0.04 C Shift Assignments>> CA :: 58.453 CB :: 41.899 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.729 HA :: 4.7505 HB2 :: 3.6397 HB3 :: 3.354 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 :: 114.991 Ave N Shift Values>> N :: 120.17(4.64) 1.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 G 0.26 R 0.21 C Shift Assignments>> CA :: 58.47 CB :: 32.441 CG :: 26.534 CD :: 44.461 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 :: 9.325 HA :: 4.309 HB2 :: 1.493 HB3 :: 1.826 HG2 :: 1.892 HG3 :: 1.628 HD2 :: 3.4715 HD3 :: 2.5625 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 :: 122.298 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.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.33 G 0.03 C Shift Assignments>> CA :: 57.37 CB :: 42.399 CD1 :: 133.288 CD2 :: 133.288 CE1 :: 130.695 CE2 :: 130.695 CZ :: 129.468 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 :: 8.438 HA :: 5.3922 HB2 :: 3.7825 HB3 :: 3.1245 HD1 :: 7.351 HD2 :: 7.351 HE1 :: 6.839 HE2 :: 6.839 HZ :: 6.575 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 :: 115.617 Ave N Shift Values>> N :: 120.45(4.18) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.35 C 0.13 A 0.02 C Shift Assignments>> CA :: 53.775 CB :: 45.196 CG :: 26.8617 CD1 :: 24.833 CD2 :: 23.394 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 :: 9.144 HA :: 4.6424 HB2 :: 1.6546 HB3 :: 1.4553 HG :: 1.5729 HD11 :: 0.9734 HD12 :: 0.9734 HD13 :: 0.9734 HD21 :: 0.8984 HD22 :: 0.8984 HD23 :: 0.8984 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 :: 122.021 Ave N Shift Values>> N :: 121.86(3.9) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 63.014 CB :: 69.954 CG2 :: 22.04 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 :: 7.82 HA :: 4.9175 HB :: 4.055 HG21 :: 1.2385 HG22 :: 1.2385 HG23 :: 1.2385 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 :: 118.008 Ave N Shift Values>> N :: 115.42(4.75) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 I 0.21 G 0.11 C Shift Assignments>> CA :: 59.853 CB :: 43.2167 CG1 :: 27.35 CG2 :: 19.267 CD1 :: 13.556 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 :: 9.119 HA :: 4.4005 HB :: 1.4886 HG12 :: 1.4489 HG13 :: 0.7765 HG21 :: 0.6951 HG22 :: 0.6951 HG23 :: 0.6951 HD11 :: 0.2918 HD12 :: 0.2918 HD13 :: 0.2918 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 :: 127.399 Ave N Shift Values>> N :: 121.46(4.28) 1.H42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.43 W 0.35 C 0.2 C Shift Assignments>> CA :: 53.075 CB :: 30.654 CD2 :: 119.858 CE1 :: 136.138 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.756 HA :: 5.2605 HB2 :: 3.1917 HB3 :: 2.8763 HD2 :: 7.211 HE1 :: 8.542 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 :: 122.916 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.44 G 0.08 K 0.02 C Shift Assignments>> CA :: 58.5812 CB :: 30.338 CG :: 26.8614 CD :: 43.5192 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 :: 8.994 HA :: 3.2237 HB2 :: 1.6799 HB3 :: 1.4543 HG2 :: 1.4299 HG3 :: 1.3165 HD2 :: 3.1723 HD3 :: 3.1723 HE :: 7.091 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 :: 122.315 NE :: 83.965 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.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.927 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.809 HA2 :: 4.402 HA3 :: 3.4895 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.49 Ave N Shift Values>> N :: 109.67(3.87) 1.Q45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.33 M 0.12 Q 0.09 K 0.06 I 0.02 C Shift Assignments>> CA :: 57.417 CB :: 30.516 CG :: 35.8264 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 :: 8.083 HA :: 4.2562 HB2 :: 2.1266 HB3 :: 1.972 HG2 :: 2.4709 HG3 :: 2.396 HE21 :: 7.75 HE22 :: 6.918 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 :: 120.083 NE2 :: 112.298 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V46 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>> CA :: 62.286 CB :: 32.503 CG1 :: 21.388 CG2 :: 22.0077 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 :: 8.386 HA :: 4.5005 HB :: 1.889 HG11 :: 0.6957 HG12 :: 0.6957 HG13 :: 0.6957 HG21 :: 0.9887 HG22 :: 0.9887 HG23 :: 0.9887 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 :: 122.949 Ave N Shift Values>> N :: 121.14(4.54) 1.V47 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>> CA :: 59.8677 CB :: 35.5427 CG1 :: 21.1155 CG2 :: 20.602 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 :: 8.993 HA :: 4.5627 HB :: 1.5433 HG11 :: 0.4783 HG12 :: 0.4783 HG13 :: 0.4783 HG21 :: 0.4803 HG22 :: 0.4803 HG23 :: 0.4803 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 :: 125.751 Ave N Shift Values>> N :: 121.14(4.54) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.31 C Shift Assignments>> CA :: 57.654 CB :: 39.904 CD1 :: 132.572 CD2 :: 132.572 CE1 :: 118.132 CE2 :: 118.132 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 :: 9.179 HA :: 4.9058 HB2 :: 2.478 HB3 :: 3.1855 HD1 :: 6.921 HD2 :: 6.921 HE1 :: 6.773 HE2 :: 6.773 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 :: 124.867 Ave N Shift Values>> N :: 120.52(4.2) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> CA :: 63.345 CB :: 31.6887 CG1 :: 22.121 CG2 :: 21.952 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 :: 8.971 HA :: 4.3787 HB :: 2.5117 HG11 :: 0.6905 HG12 :: 0.6905 HG13 :: 0.6905 HG21 :: 1.1142 HG22 :: 1.1142 HG23 :: 1.1142 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 :: 125.277 Ave N Shift Values>> N :: 121.14(4.54) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.78 C 0.18 G 0.03 C Shift Assignments>> CA :: 60.354 CB :: 42.516 CD1 :: 131.723 CD2 :: 131.723 CE1 :: 131.255 CE2 :: 131.255 CZ :: 129.626 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 :: 9.848 HA :: 4.4867 HB2 :: 3.034 HB3 :: 2.8072 HD1 :: 7.127 HD2 :: 7.127 HE1 :: 7.127 HE2 :: 7.127 HZ :: 7.085 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 :: 127.257 Ave N Shift Values>> N :: 120.45(4.18) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.55 S 0.44 C Shift Assignments>> CA :: 56.2315 CB :: 67.4972 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.578 HA :: 5.4867 HB2 :: 3.971 HB3 :: 3.6183 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 :: 111.945 Ave N Shift Values>> N :: 116.28(3.52) 1.K52 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.49 C 0.45 R 0.04 C Shift Assignments>> CA :: 55.605 CB :: 34.775 CG :: 24.4185 CD :: 30.025 CE :: 41.6365 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 :: 8.612 HA :: 4.828 HB2 :: 1.654 HB3 :: 1.421 HG2 :: 0.38(S) HG3 :: -0.809(S) HD2 :: 1.169 HD3 :: 0.999 HE2 :: 1.645(S) HE3 :: 0.212(A) 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 :: 120.237 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HE2 > HB2 : 0.9970) (HE3 > HB2 : 0.9970) (HE3 > HB3 : 0.9974) (HE3 > HG2 : 0.9993) (HE3 > HD2 : 0.9989) (HE3 > HD3 : 0.9989) 1.L53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.59 L 0.35 A 0.04 C Shift Assignments>> CA :: 56.3244 CB :: 39.8644 CG :: 26.898 CD1 :: 22.4892 CD2 :: 26.4702 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 :: 8.288 HA :: 4.366 HB2 :: 2.789(S) HB3 :: 1.08 HG :: 1.8068 HD11 :: 0.8987 HD12 :: 0.8987 HD13 :: 0.8987 HD21 :: 0.791 HD22 :: 0.791 HD23 :: 0.791 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 :: 121.534 Ave N Shift Values>> N :: 121.86(3.9) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.44 R 0.05 C Shift Assignments>> CA :: 54.5673 CB :: 35.7716 CG :: 25.041 CD :: 28.9373 CE :: 41.4105 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 :: 7.421 HA :: 4.7518 HB2 :: 1.9252 HB3 :: 1.4563 HG2 :: 1.3635 HG3 :: 1.2997 HD2 :: 1.6337 HD3 :: 1.4546 HE2 :: 2.9181 HE3 :: 2.8705 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 :: 115.544 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 A 0.01 C Shift Assignments>> CA :: 47.107 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.141 HA2 :: 4.007 HA3 :: 3.8525 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.503 Ave N Shift Values>> N :: 109.67(3.87) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.39 K 0.09 G 0.06 L 0.04 C Shift Assignments>> CA :: 58.0142 CB :: 29.1717 CG :: 26.6477 CD :: 43.3765 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 :: 9.144 HA :: 4.3046 HB2 :: 2.0046 HB3 :: 1.8655 HG2 :: 1.7581 HG3 :: 1.6848 HD2 :: 3.1801 HD3 :: 3.1801 HE :: 7.337 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 :: 127.117 NE :: 85.819 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.G57 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>> CA :: 45.804 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.737 HA2 :: 4.6875 HA3 :: 3.5435 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.18 Ave N Shift Values>> N :: 109.67(3.87) 1.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.36 K 0.11 G 0.07 L 0.02 C Shift Assignments>> CA :: 57.72 CB :: 29.7056 CG :: 25.9568 CD :: 43.495 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 :: 7.327 HA :: 4.3002 HB2 :: 2.1071 HB3 :: 1.9401 HG2 :: 1.7473 HG3 :: 1.4076 HD2 :: 3.228 HD3 :: 3.228 HE :: 7.199 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 :: 116.086 NE :: 84.669 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.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.35 A 0.01 C Shift Assignments>> CA :: 56.416 CB :: 41.5481 CG :: 26.9812 CD1 :: 24.5018 CD2 :: 23.066 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 :: 7.951 HA :: 3.9793 HB2 :: 0.9498 HB3 :: 0.8766 HG :: 1.2904 HD11 :: 0.7414 HD12 :: 0.7414 HD13 :: 0.7414 HD21 :: 0.662 HD22 :: 0.662 HD23 :: 0.662 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 :: 120.97 Ave N Shift Values>> N :: 121.86(3.9) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.74 C 0.24 C Shift Assignments>> CA :: 57.511 CB :: 41.882 CD1 :: 131.072 CD2 :: 131.072 CE1 :: 131.843 CE2 :: 131.843 CZ :: 130.181 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 :: 8.663 HA :: 5.1588 HB2 :: 3.0953 HB3 :: 2.987 HD1 :: 7.024 HD2 :: 7.024 HE1 :: 7.411 HE2 :: 7.411 HZ :: 7.346 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 :: 116.81 Ave N Shift Values>> N :: 120.45(4.18) 1.W61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 W 0.37 C Shift Assignments>> CA :: 52.361 CB :: 33.854 CD1 :: 124.001 CE3 :: 121.086 CZ2 :: 114.041 CZ3 :: 121.112 CH2 :: 124.576 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 :: 8.77 HA :: 5.3172 HB2 :: 3.2577 HB3 :: 2.48 HD1 :: 7.551 HE1 :: 9.733 HE3 :: 7.412 HZ2 :: 7.551 HZ3 :: 6.743 HH2 :: 7.139 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 :: 121.345 NE1 :: 128.081 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G62 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>> CA :: 44.066 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.275 HA2 :: 4.6655 HA3 :: 3.064 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.879 Ave N Shift Values>> N :: 109.67(3.87) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 C 0.08 L 0.04 A 0.02 P 0.01 C Shift Assignments>> CA :: 47.385 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.415 HA2 :: 5.11 HA3 :: 4.712 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.428 Ave N Shift Values>> N :: 109.67(3.87) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.7 T 0.29 C Shift Assignments>> CA :: 56.5825 CB :: 67.0075 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.075 HA :: 5.2355 HB2 :: 3.8335 HB3 :: 3.7935 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 :: 112.666 Ave N Shift Values>> N :: 116.28(3.52) 1.V65 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>> CA :: 62.047 CB :: 33.0393 CG1 :: 21.979 CG2 :: 20.9 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 :: 8.968 HA :: 4.663 HB :: 2.2648 HG11 :: 1.0548 HG12 :: 1.0548 HG13 :: 1.0548 HG21 :: 1.0295 HG22 :: 1.0295 HG23 :: 1.0295 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 :: 121.027 Ave N Shift Values>> N :: 121.14(4.54) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.25 K 0.19 E 0.13 M 0.12 C Shift Assignments>> CA :: 56.631 CB :: 30.0425 CG :: 34.2343 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 :: 8.777 HA :: 4.4188 HB2 :: 2.1942 HB3 :: 1.8992 HG2 :: 2.3637 HG3 :: 2.3637 HE21 :: 7.407 HE22 :: 6.872 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 :: 124.923 NE2 :: 111.708 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> CA :: 45.279 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.474 HA2 :: 3.896 HA3 :: 3.7935 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.754 Ave N Shift Values>> N :: 109.67(3.87) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.44 L 0.2 F 0.12 Y 0.1 C 0.08 K 0.03 C Shift Assignments>> CA :: 53.706 CB :: 40.348 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 :: 8.11 HA :: 4.607 HB2 :: 2.634 HB3 :: 2.634 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 :: 119.506 Ave N Shift Values>> N :: 120.65(3.86) 1.Y69 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>> CA :: 57.891 CB :: 39.108 CD1 :: 133.285 CD2 :: 133.285 CE1 :: 118.05 CE2 :: 118.05 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 :: 7.924 HA :: 4.489 HB2 :: 2.8465 HB3 :: 2.8465 HD1 :: 6.865 HD2 :: 6.865 HE1 :: 6.687 HE2 :: 6.687 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 :: 119.865 Ave N Shift Values>> N :: 120.52(4.2) 1.Y70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> CA :: 58.212 CB :: 38.525 CD1 :: 133.227 CD2 :: 133.227 CE1 :: 118.169 CE2 :: 118.169 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 :: 8.147 HA :: 4.3803 HB2 :: 3.025 HB3 :: 2.8438 HD1 :: 7.02 HD2 :: 7.02 HE1 :: 6.782 HE2 :: 6.782 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 :: 121.196 Ave N Shift Values>> N :: 120.52(4.2) 1.G71 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>> CA :: 45.556 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.767 HA2 :: 3.899 HA3 :: 3.704 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.911 Ave N Shift Values>> N :: 109.67(3.87) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.43 L 0.18 F 0.13 Y 0.11 C 0.1 K 0.01 C Shift Assignments>> CA :: 53.793 CB :: 39.998 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 :: 8.121 HA :: 4.599 HB2 :: 2.7702 HB3 :: 2.6375 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 :: 119.731 Ave N Shift Values>> N :: 120.65(3.86) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.29 R 0.03 G 0.01 A 0.01 C Shift Assignments>> CA :: 55.601 CB :: 42.3215 CG :: 26.9353 CD1 :: 24.8872 CD2 :: 23.609 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 :: 8.109 HA :: 4.24 HB2 :: 1.6245 HB3 :: 1.5397 HG :: 1.5715 HD11 :: 0.8002 HD12 :: 0.8002 HD13 :: 0.8002 HD21 :: 0.7524 HD22 :: 0.7524 HD23 :: 0.7524 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 :: 122.216 Ave N Shift Values>> N :: 121.86(3.9) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> CA :: 52.428 CB :: 19.091 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.092 HA :: 4.1285 HB1 :: 1.261 HB2 :: 1.261 HB3 :: 1.261 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.153 Ave N Shift Values>> N :: 123.23(3.54) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.07 C 0.01 C Shift Assignments>> CA :: 52.373 CB :: 19.467 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.854 HA :: 4.197 HB1 :: 1.286 HB2 :: 1.286 HB3 :: 1.286 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.319 Ave N Shift Values>> N :: 123.23(3.54) 1.R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.36 G 0.07 K 0.04 C Shift Assignments>> CA :: 55.653 CB :: 31.0903 CG :: 27.0328 CD :: 43.4252 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 :: 7.892 HA :: 4.3156 HB2 :: 1.8181 HB3 :: 1.7475 HG2 :: 1.5544 HG3 :: 1.5544 HD2 :: 3.1736 HD3 :: 3.1736 HE :: 7.236 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 :: 119.442 NE :: 85.293 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.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.2 G 0.09 R 0.06 A 0.01 C Shift Assignments>> CA :: 54.1472 CB :: 43.364 CG :: 27.1195 CD1 :: 25.2662 CD2 :: 24.0347 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 :: 8.154 HA :: 4.6958 HB2 :: 1.3468 HB3 :: 1.2858 HG :: 1.2996 HD11 :: 0.5304 HD12 :: 0.5304 HD13 :: 0.5304 HD21 :: 0.3181 HD22 :: 0.3181 HD23 :: 0.3181 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 :: 125.133 Ave N Shift Values>> N :: 121.86(3.9) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.9045 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.798 HA2 :: 4.1985 HA3 :: 3.7035 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.636 Ave N Shift Values>> N :: 109.67(3.87) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.25 C Shift Assignments>> CA :: 58.344 CB :: 41.2813 CD1 :: 132.675 CD2 :: 132.675 CE1 :: 117.961 CE2 :: 117.961 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 :: 8.502 HA :: 5.807 HB2 :: 2.6902 HB3 :: 1.997 HD1 :: 6.94 HD2 :: 6.94 HE1 :: 6.667 HE2 :: 6.667 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 :: 117.508 Ave N Shift Values>> N :: 120.52(4.2) 1.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 F 0.11 C Shift Assignments>> CA :: 55.36 CB :: 37.606 CD1 :: 134.014 CD2 :: 134.014 CE1 :: 129.79 CE2 :: 129.79 CZ :: 128.329 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 :: 8.865 HA :: 5.2538 HB2 :: 3.4733 HB3 :: 2.5213 HD1 :: 6.924 HD2 :: 6.924 HE1 :: 6.968 HE2 :: 6.968 HZ :: 7.144 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 :: 114.314 Ave N Shift Values>> N :: 120.45(4.18) 1.P81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.53 C 0.46 C Shift Assignments>> CA :: 62.1037 CB :: 31.0068 CG :: 28.4938 CD :: 49.838 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 :: 4.6442 HB2 :: 2.064 HB3 :: 1.8388 HG2 :: 1.951 HG3 :: 1.8919 HD2 :: 3.41 HD3 :: 2.6956 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.S82 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.709 CB :: 59.965 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.66 HA :: 2.88(S) HB2 :: 1.3953(A) HB3 :: 1.79(S) 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 :: 122.616 Ave N Shift Values>> N :: 116.28(3.52) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.707 CB :: 62.8013 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.669 HA :: 4.0345 HB2 :: 3.7117 HB3 :: 3.8847 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 :: 113.242 Ave N Shift Values>> N :: 116.28(3.52) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> CA :: 61.266 CB :: 38.093 CG1 :: 26.7327 CG2 :: 18.0612 CD1 :: 14.57 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 :: 7.262 HA :: 4.3373 HB :: 2.136 HG12 :: 1.6301 HG13 :: 1.1961 HG21 :: 0.7948 HG22 :: 0.7948 HG23 :: 0.7948 HD11 :: 0.6701 HD12 :: 0.6701 HD13 :: 0.6701 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 :: 114.509 Ave N Shift Values>> N :: 121.46(4.28) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 V 0.12 A 0.04 C Shift Assignments>> CA :: 57.999 CB :: 35.702 CG1 :: 20.955 CG2 :: 19.268 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 :: 7.516 HA :: 5.3405 HB :: 1.8162 HG11 :: 0.5048 HG12 :: 0.5048 HG13 :: 0.5048 HG21 :: 0.8495 HG22 :: 0.8495 HG23 :: 0.8495 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 :: 110.703 Ave N Shift Values>> N :: 121.14(4.54) 1.R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 G 0.11 K 0.08 C Shift Assignments>> CA :: 54.0408 CB :: 33.1736 CG :: 27.1381 CD :: 43.3607 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 :: 8.598 HA :: 4.7503 HB2 :: 1.8284 HB3 :: 1.6337 HG2 :: 1.6756 HG3 :: 1.3968 HD2 :: 3.2685 HD3 :: 3.171 HE :: 7.876 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 :: 119.92 NE :: 85.046 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.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 E 0.25 I 0.07 M 0.05 C Shift Assignments>> CA :: 58.032 CB :: 30.99 CG :: 37.9635 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 :: 9.362 HA :: 4.2294 HB2 :: 2.1385 HB3 :: 2.072 HG2 :: 2.4982 HG3 :: 2.171 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 :: 127.392 Ave N Shift Values>> N :: 120.67(3.48) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.25 K 0.16 R 0.11 F 0.07 C 0.04 Y 0.04 C Shift Assignments>> CA :: 54.341 CB :: 42.2025 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 :: 9.044 HA :: 4.9502 HB2 :: 2.6812 HB3 :: 2.589 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 :: 126.214 Ave N Shift Values>> N :: 120.65(3.86) 1.Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.3 Q 0.21 E 0.03 K 0.02 C Shift Assignments>> CA :: 55.614 CB :: 31.789 CG :: 33.3885 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 :: 7.658 HA :: 4.5357 HB2 :: 1.9227 HB3 :: 1.9227 HG2 :: 2.2555 HG3 :: 2.1705 HE21 :: 7.412 HE22 :: 6.751 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 :: 117.594 NE2 :: 111.1945 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> CA :: 63.397 CB :: 68.863 CG2 :: 21.34 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 :: 9.006 HA :: 4.0365 HB :: 4.013 HG21 :: 1.034 HG22 :: 1.034 HG23 :: 1.034 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 :: 122.901 Ave N Shift Values>> N :: 115.42(4.75) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.38 R 0.08 A 0.02 C Shift Assignments>> CA :: 56.069 CB :: 41.942 CG :: 27.5237 CD1 :: 22.695 CD2 :: 25.396 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 :: 9.059 HA :: 4.3756 HB2 :: 1.5147 HB3 :: 1.456 HG :: 1.4503 HD11 :: 0.7891 HD12 :: 0.7891 HD13 :: 0.7891 HD21 :: 0.7705 HD22 :: 0.7705 HD23 :: 0.7705 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 :: 129.614 Ave N Shift Values>> N :: 121.86(3.9) 1.K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.37 R 0.13 G 0.01 C Shift Assignments>> CA :: 53.6368 CB :: 35.6795 CG :: 25.0518 CD :: 29.0439 CE :: 42.0783 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 :: 8.174 HA :: 4.6236 HB2 :: 1.8118 HB3 :: 1.5872 HG2 :: 1.3495 HG3 :: 1.3495 HD2 :: 1.5876 HD3 :: 1.4798 HE2 :: 2.854 HE3 :: 2.854 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 :: 121.511 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> CA :: 63.076 CB :: 32.2768 CG :: 27.6303 CD :: 50.2392 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 :: 4.1683 HB2 :: 2.2414 HB3 :: 1.7217 HG2 :: 2.0363 HG3 :: 1.9409 HD2 :: 3.6983 HD3 :: 3.584 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.G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> CA :: 46.685 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.497 HA2 :: 3.797 HA3 :: 3.0605 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.9 Ave N Shift Values>> N :: 109.67(3.87) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.4 R 0.05 C Shift Assignments>> CA :: 55.613 CB :: 34.8242 CG :: 24.4226 CD :: 29.097 CE :: 41.9862 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 :: 7.504 HA :: 4.5367 HB2 :: 1.8403 HB3 :: 1.7139 HG2 :: 1.2642 HG3 :: 1.2642 HD2 :: 1.637 HD3 :: 1.637 HE2 :: 2.9418 HE3 :: 2.9418 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 :: 120.536 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> CA :: 62.816 CB :: 32.063 CG1 :: 21.657 CG2 :: 21.657 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 :: 8.544 HA :: 4.0222 HB :: 1.6142 HG11 :: 0.7073 HG12 :: 0.7073 HG13 :: 0.7073 HG21 :: 0.7073 HG22 :: 0.7073 HG23 :: 0.7073 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 :: 122.925 Ave N Shift Values>> N :: 121.14(4.54) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.3 K 0.13 R 0.1 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> CA :: 53.506 CB :: 42.198 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 :: 8.368 HA :: 5.0725 HB2 :: 2.794 HB3 :: 2.3685 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 :: 128.939 Ave N Shift Values>> N :: 120.65(3.86) 1.V98 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>> CA :: 60.504 CB :: 35.987 CG1 :: 22.039 CG2 :: 21.181 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 :: 9.293 HA :: 4.4313 HB :: 1.9093 HG11 :: 1.0605 HG12 :: 1.0605 HG13 :: 1.0605 HG21 :: 0.9062 HG22 :: 0.9062 HG23 :: 0.9062 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 :: 125.857 Ave N Shift Values>> N :: 121.14(4.54) 1.K99 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 C Shift Assignments>> CA :: 57.192 CB :: 33.1286 CG :: 25.2952 CD :: 29.459 CE :: 42.096 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 :: 8.515 HA :: 4.5972 HB2 :: 1.9477 HB3 :: 1.8361 HG2 :: 1.6128 HG3 :: 1.6128 HD2 :: 1.7726 HD3 :: 1.7726 HE2 :: 3.0711 HE3 :: 3.0711 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 :: 124.171 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> CA :: 60.26 CB :: 70.631 CG2 :: 21.926 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 :: 7.861 HA :: 4.499 HB :: 4.617 HG21 :: 0.958 HG22 :: 0.958 HG23 :: 0.958 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 :: 112.603 Ave N Shift Values>> N :: 115.42(4.75) 1.D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.21 R 0.17 G 0.16 C 0.05 K 0.03 F 0.02 Y 0.01 C Shift Assignments>> CA :: 52.0395 CB :: 43.211 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 :: 9.124 HA :: 4.953 HB2 :: 2.9905 HB3 :: 2.6305 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 :: 121.535 Ave N Shift Values>> N :: 120.65(3.86) 1.K102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.57 K 0.36 R 0.05 C Shift Assignments>> CA :: 58.899 CB :: 31.8853 CG :: 23.258 CD :: 29.4437 CE :: 41.5558 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 :: 8.493 HA :: 4.0067 HB2 :: 1.6015 HB3 :: 1.3617 HG2 :: 0.6932 HG3 :: 0.3579(S) HD2 :: 1.2472 HD3 :: 1.2472 HE2 :: 2.3422 HE3 :: 2.3422 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 :: 118.091 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 C 0.44 C Shift Assignments>> CA :: 57.513 CB :: 28.4425 CD1 :: 127.536 CE3 :: 120.301 CZ2 :: 114.461 CZ3 :: 121.856 CH2 :: 124.352 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 :: 7.443 HA :: 4.3587 HB2 :: 3.0875 HB3 :: 3.2755 HD1 :: 7.11 HE1 :: 10.012 HE3 :: 7.066 HZ2 :: 7.351 HZ3 :: 6.293 HH2 :: 6.99 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 :: 118.517 NE1 :: 128.654 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D104 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.21 L 0.19 F 0.18 Y 0.13 D 0.13 C 0.07 R 0.03 I 0.02 C Shift Assignments>> CA :: 56.8945 CB :: 41.4342 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 :: 7.656 HA :: 4.3 HB2 :: 1.6005(S) HB3 :: 2.443 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 :: 118.118 Ave N Shift Values>> N :: 120.65(3.86) 1.F105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.3 F 0.02 C Shift Assignments>> CA :: 55.715 CB :: 39.935 CD1 :: 133.776 CD2 :: 133.776 CE1 :: 127.888 CE2 :: 127.888 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 :: 7.506 HA :: 4.96 HB2 :: 2.922 HB3 :: 2.722 HD1 :: 7.072 HD2 :: 7.072 HE1 :: 6.91 HE2 :: 6.91 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 :: 116.261 Ave N Shift Values>> N :: 120.45(4.18) 1.Y106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.27 C Shift Assignments>> CA :: 57.58 CB :: 40.8095 CD1 :: 132.929 CD2 :: 132.929 CE1 :: 118.051 CE2 :: 118.051 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 :: 7.58 HA :: 4.504 HB2 :: 3.0755 HB3 :: 2.9955 HD1 :: 6.793 HD2 :: 6.793 HE1 :: 6.687 HE2 :: 6.687 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 :: 121.632 Ave N Shift Values>> N :: 120.52(4.2) 1.C107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.19 D 0.18 K 0.14 F 0.06 C 0.04 Y 0.04 G 0.01 C Shift Assignments>> CA :: 54.8775 CB :: 42.605 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.234 HA :: 4.802 HB2 :: 3.4747 HB3 :: 3.3167 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 :: 124.626 Ave N Shift Values>> N :: 120.17(4.64) 1.Q108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.25 E 0.16 K 0.16 M 0.12 C Shift Assignments>> CA :: 57.697 CB :: 30.2092 CG :: 34.38 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 :: 8.478 HA :: 4.2525 HB2 :: 2.221 HB3 :: 2.0048 HG2 :: 2.4343 HG3 :: 2.4343 HE21 :: 7.662 HE22 :: 6.772 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 :: 128.036 NE2 :: 112.059 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) ########################################################################### Overall Results: #Consistent: 100 #Clerical: 0 #Suspicious: 5 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 108 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 107 #Suspicious: 1 C Shift Results: #Consistent: 385 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 752 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 3 N Shift Results: #Consistent: 115 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L7 H = 3.985(A), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5433e-11 1.A8 CB = 25.594(S), Expected = 19.01, Std = 1.8300, ChiSquare = 3.2090e-04 1.A14 H = 10.342(S), Expected = 8.20, Std = 0.6000, ChiSquare = 3.5698e-04 1.K52 HG2 = 0.38(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.4027e-04 1.K52 HG3 = -0.809(S), Expected = 1.35, Std = 0.2800, ChiSquare = 1.2512e-14 1.K52 HE2 = 1.645(S), Expected = 2.92, Std = 0.1900, ChiSquare = 1.9392e-11 1.K52 HE3 = 0.212(A), Expected = 2.91, Std = 0.2000, ChiSquare = 1.7910e-41 1.K52 SRO Rule Break>> HE2 > HB2 : 0.997029997029997 1.K52 SRO Rule Break>> HE3 > HB2 : 0.99703557312253 1.K52 SRO Rule Break>> HE3 > HB3 : 0.997380484610347 1.K52 SRO Rule Break>> HE3 > HG2 : 0.999326372515999 1.K52 SRO Rule Break>> HE3 > HD2 : 0.998931243320271 1.K52 SRO Rule Break>> HE3 > HD3 : 0.998948106591865 1.L53 HB2 = 2.789(S), Expected = 1.61, Std = 0.3400, ChiSquare = 5.2504e-04 1.S82 HA = 2.88(S), Expected = 4.48, Std = 0.4000, ChiSquare = 6.3342e-05 1.S82 HB2 = 1.3953(A), Expected = 3.88, Std = 0.2500, ChiSquare = 2.8221e-23 1.S82 HB3 = 1.79(S), Expected = 3.85, Std = 0.2700, ChiSquare = 2.3543e-14 1.K102 HG3 = 0.3579(S), Expected = 1.35, Std = 0.2800, ChiSquare = 3.9528e-04 1.D104 HB2 = 1.6005(S), Expected = 2.72, Std = 0.2600, ChiSquare = 1.6641e-05