Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.82 V 0.17 C Shift Assignments>> CB :: 68.233 CG2 :: 22.344 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>> HB :: 4.100 HG21 :: 1.110 HG22 :: 1.110 HG23 :: 1.110 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) 1.Q8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.437 CA :: 58.551 CB :: 63.823 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.214 HB2 :: 3.792 HB3 :: 4.016 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.D13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.315 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 :: 122.549 Ave N Shift Values>> N :: 120.65(3.86) 1.D14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.86 V 0.13 C Shift Assignments>> CB :: 68.460 CG2 :: 22.006 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>> HB :: 4.202 HG21 :: 1.047 HG22 :: 1.047 HG23 :: 1.047 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) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.74 G 0.15 K 0.09 C Shift Assignments>> CA :: 58.795 CB :: 30.097 CG :: 28.052 CD :: 43.518 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>> HA :: 4.064 HB2 :: 1.781 HG3 :: 1.527 HD2 :: 3.006 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) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.98 G 0.01 C Shift Assignments>> CB :: 32.234 CG :: 25.218 CD :: 29.054 CE :: 42.041 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>> HB3 :: 1.716 HG2 :: 1.286 HG3 :: 1.409 HD2 :: 1.549 HE2 :: 2.806 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.F25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S26 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q27 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L29 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 178.100 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) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.488 CA :: 59.852 CB :: 63.819 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.822 HA :: 4.301 HB2 :: 3.674 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 :: 114.251 Ave N Shift Values>> N :: 116.28(3.52) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.27 K 0.17 F 0.14 N 0.07 R 0.02 C Shift Assignments>> C :: 176.958 CA :: 55.138 CB :: 41.265 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 :: 7.915 HA :: 4.599 HB2 :: 2.694 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 :: 121.114 Ave N Shift Values>> N :: 120.65(3.86) 1.G32 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.756 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.094 Ave N Shift Values>> N :: 109.67(3.87) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.25 F 0.19 L 0.09 I 0.01 E 0.01 M 0.01 C Shift Assignments>> C :: 176.565 CA :: 54.722 CB :: 38.994 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 :: 4.545 HB2 :: 2.788 HD21 :: 6.842 HD22 :: 7.546 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 :: 112.480 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 I 0.14 K 0.13 Q 0.07 M 0.04 C Shift Assignments>> C :: 177.512 CA :: 58.046 CB :: 29.501 CG :: 36.289 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 :: 8.732 HA :: 4.161 HB2 :: 2.039 HB3 :: 1.907 HG2 :: 2.273 HG3 :: 2.201 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 :: 120.392 Ave N Shift Values>> N :: 120.67(3.48) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.35 E 0.12 R 0.06 M 0.03 I 0.01 HN Overlap>> 2.L33 2.L33 C Shift Assignments>> C :: 177.177 CA :: 56.351 CB :: 28.725 CG :: 34.115 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 :: 8.277 HA :: 4.369 HB2 :: 2.246 HB3 :: 2.403 HG2 :: 2.341 HE21 :: 6.625 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 :: 118.970 NE2 :: 111.781 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.2 K 0.17 W 0.14 E 0.13 H 0.12 R 0.08 I 0.08 M 0.01 P 0.01 HN Overlap>> 2.I9 2.I9 C Shift Assignments>> C :: 177.264 CG1 :: 29.165 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 :: 7.862 HG12 :: 1.011 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 :: 120.242 Ave N Shift Values>> N :: 121.46(4.28) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.36 R 0.16 E 0.04 M 0.03 I 0.01 HN Overlap>> 2.K69 2.K69 C Shift Assignments>> CA :: 58.170 CB :: 28.137 CG :: 33.459 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 :: 8.216 HA :: 3.745 HB3 :: 2.029 HG2 :: 2.307 HG3 :: 2.387 HE21 :: 7.438 HE22 :: 7.438 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 :: 119.444 NE2 :: 111.781 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.46 I 0.02 C Shift Assignments>> C :: 180.679 CA :: 54.931 CB :: 18.240 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.557 HA :: 4.117 HB1 :: 1.425 HB2 :: 1.425 HB3 :: 1.425 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.702 Ave N Shift Values>> N :: 123.23(3.54) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 I 0.32 HN Overlap>> 2.N38 2.N38 C Shift Assignments>> C :: 178.041 CA :: 66.158 CB :: 35.290 CG2 :: 19.190 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 :: 7.833 HA :: 4.074 HB :: 2.268 HG21 :: 1.298 HG22 :: 1.298 HG23 :: 1.298 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 :: 118.717 Ave N Shift Values>> N :: 121.14(4.54) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.2 Q 0.15 K 0.12 R 0.1 W 0.09 P 0.08 H 0.08 E 0.07 L 0.05 C Shift Assignments>> CG1 :: 28.204 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 :: 7.951 HG12 :: 1.165 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 :: 119.748 Ave N Shift Values>> N :: 121.46(4.28) 1.D41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.Q103 1.Q61 1.Q103 1.Q61 H Shift Assignments>> H :: 7.988 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 :: 115.717 Ave N Shift Values>> N :: 120.65(3.86) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.14 HN Overlap>> 1.Q58 1.Q58 C Shift Assignments>> C :: 178.367 CA :: 52.839 CB :: 18.921 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.030 HA :: 4.233 HB1 :: 1.469 HB2 :: 1.469 HB3 :: 1.469 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.656 Ave N Shift Values>> N :: 123.23(3.54) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.08 C Shift Assignments>> CA :: 45.701 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.046 HA2 :: 3.947 HA3 :: 4.181 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.528 Ave N Shift Values>> N :: 109.67(3.87) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 L 0.13 M 0.11 V 0.03 T 0.01 HN Overlap>> 1.A86 1.A86 C Shift Assignments>> C :: 178.628 CA :: 54.792 CB :: 20.454 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.271 HA :: 3.861 HB1 :: 1.089 HB2 :: 1.089 HB3 :: 1.089 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.232 Ave N Shift Values>> N :: 123.23(3.54) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.99 C Shift Assignments>> CA :: 60.348 CB :: 39.279 CG :: 27.760 CD1 :: 24.535 CD2 :: 26.072 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 :: 9.159 HA :: 3.994 HB2 :: 1.181 HB3 :: 1.903 HG :: 1.614 HD11 :: 0.712 HD12 :: 0.712 HD13 :: 0.712 HD21 :: 0.765 HD22 :: 0.765 HD23 :: 0.765 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 :: 113.501 Ave N Shift Values>> N :: 121.86(3.9) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.59 P 0.26 I 0.12 C Shift Assignments>> C :: 178.753 CA :: 66.256 CB :: 30.702 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 :: 4.149 HB2 :: 2.357 HB3 :: 1.853 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.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.33 I 0.01 C Shift Assignments>> C :: 179.660 CA :: 54.697 CB :: 19.008 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.865 HA :: 4.130 HB1 :: 1.350 HB2 :: 1.350 HB3 :: 1.350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.072 Ave N Shift Values>> N :: 123.23(3.54) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 K 0.26 G 0.01 C Shift Assignments>> C :: 178.468 CA :: 58.000 CB :: 42.315 CG :: 27.030 CD2 :: 23.735 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 :: 7.894 HA :: 3.895 HB2 :: 1.514 HB3 :: 1.331 HG :: 1.786 HD11 :: 0.642 HD12 :: 0.642 HD13 :: 0.642 HD21 :: 0.535 HD22 :: 0.535 HD23 :: 0.535 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 :: 119.057 Ave N Shift Values>> N :: 121.86(3.9) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.734 CA :: 66.817 CB :: 31.006 CG1 :: 21.442 CG2 :: 23.808 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 :: 8.044 HA :: 3.277 HB :: 2.042 HG11 :: 0.686 HG12 :: 0.686 HG13 :: 0.686 HG21 :: 0.779 HG22 :: 0.779 HG23 :: 0.779 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 :: 116.207 Ave N Shift Values>> N :: 121.14(4.54) 1.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.35 R 0.11 E 0.08 I 0.04 M 0.02 C Shift Assignments>> C :: 178.777 CA :: 58.764 CB :: 28.161 CG :: 33.891 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 :: 7.723 HA :: 3.981 HB2 :: 2.120 HB3 :: 2.090 HG2 :: 2.398 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 :: 120.295 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 A 0.06 HN Overlap>> 1.A84 1.A84 2.A11 2.A11 C Shift Assignments>> C :: 177.915 CA :: 56.814 CB :: 40.465 CG :: 26.374 CD2 :: 22.084 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 :: 7.495 HA :: 4.021 HB2 :: 1.959 HB3 :: 1.338 HG :: 1.991 HD21 :: 0.807 HD22 :: 0.807 HD23 :: 0.807 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 :: 119.329 Ave N Shift Values>> N :: 121.86(3.9) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 A 0.03 K 0.01 C Shift Assignments>> C :: 176.709 CA :: 56.272 CB :: 40.456 CG :: 26.269 CD2 :: 22.898 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 :: 7.455 HA :: 4.109 HB2 :: 1.933 HB3 :: 1.404 HG :: 1.924 HD21 :: 0.712 HD22 :: 0.712 HD23 :: 0.712 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 :: 116.012 Ave N Shift Values>> N :: 121.86(3.9) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.270 CA :: 57.569 CB :: 63.678 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.367 HA :: 4.524 HB2 :: 3.943 HB3 :: 3.899 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 :: 110.972 Ave N Shift Values>> N :: 116.28(3.52) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.796 CB :: 65.256 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.472 HA :: 4.440 HB2 :: 4.140 HB3 :: 3.707 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 :: 118.149 Ave N Shift Values>> N :: 116.28(3.52) 1.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.91 R 0.03 I 0.01 K 0.01 C Shift Assignments>> CA :: 63.112 CB :: 32.494 CG :: 26.763 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 :: 4.523 HB3 :: 2.644 HG2 :: 2.121 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.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.31 L 0.09 F 0.07 HN Overlap>> 1.N98 1.N98 C Shift Assignments>> C :: 174.767 CA :: 52.722 CB :: 39.700 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 :: 8.199 HA :: 4.630 HB2 :: 2.605 HB3 :: 2.986 HD21 :: 7.142 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 :: 120.115 ND2 :: 113.010 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 E 0.45 K 0.02 M 0.02 C Shift Assignments>> C :: 177.667 CA :: 59.834 CB :: 29.828 CG :: 37.393 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 :: 8.908 HA :: 3.840 HB2 :: 1.965 HB3 :: 1.947 HG2 :: 2.327 HG3 :: 2.140 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 :: 126.416 Ave N Shift Values>> N :: 120.67(3.48) 1.Q58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> Q 0.31 K 0.28 E 0.19 I 0.13 R 0.06 HN Overlap>> 1.A42 1.A42 C Shift Assignments>> C :: 178.427 CA :: 59.346 CB :: 28.101 CG :: 34.599 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 :: 8.023 HA :: 4.045 HB2 :: 2.304 HB3 :: 2.399 HG2 :: 2.403 HG3 :: 2.265 HE21 :: 7.583 HE22 :: 8.450 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 :: 118.680 NE2 :: 118.829(S) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.081 CA :: 65.062 CB :: 37.547 CG1 :: 30.279 CG2 :: 18.692 CD1 :: 13.116 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 :: 7.406 HA :: 3.507 HB :: 2.036 HG12 :: 2.060 HG13 :: 1.542 HG21 :: 0.950 HG22 :: 0.950 HG23 :: 0.950 HD11 :: 0.957 HD12 :: 0.957 HD13 :: 0.957 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 :: 120.551 Ave N Shift Values>> N :: 121.46(4.28) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 G 0.18 K 0.05 R 0.03 HN Overlap>> 2.I9 2.I9 C Shift Assignments>> C :: 178.942 CA :: 59.152 CB :: 43.322 CG :: 26.299 CD1 :: 24.743 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 :: 7.904 HA :: 3.863 HB2 :: 1.515 HB3 :: 1.811 HG :: 1.812 HD11 :: 0.931 HD12 :: 0.931 HD13 :: 0.931 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 :: 120.044 Ave N Shift Values>> N :: 121.86(3.9) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 Q 0.29 E 0.23 I 0.11 R 0.03 M 0.01 HN Overlap>> 1.Q103 1.Q103 1.D41 1.D41 C Shift Assignments>> C :: 177.935 CA :: 59.672 CB :: 28.821 CG :: 34.614 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 :: 7.899 HA :: 3.575 HB2 :: 1.966 HB3 :: 1.834 HG2 :: 1.923 HG3 :: 1.826 HE21 :: 6.401 HE22 :: 7.098 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 :: 115.726 NE2 :: 109.818 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.31 K 0.11 Q 0.05 M 0.01 HN Overlap>> 1.E104 2.E31 1.E104 2.E31 C Shift Assignments>> C :: 179.198 CA :: 59.319 CB :: 28.907 CG :: 36.277 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 :: 7.582 HA :: 4.063 HB2 :: 1.976 HG2 :: 2.259 HG3 :: 2.177 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 :: 118.781 Ave N Shift Values>> N :: 120.67(3.48) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.39 I 0.04 C Shift Assignments>> C :: 179.210 CA :: 55.456 CB :: 18.401 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.603 HA :: 3.910 HB1 :: 1.362 HB2 :: 1.362 HB3 :: 1.362 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.206 Ave N Shift Values>> N :: 123.23(3.54) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 K 0.23 HN Overlap>> 1.L106 1.L106 C Shift Assignments>> C :: 178.940 CA :: 58.101 CB :: 41.732 CG :: 26.569 CD2 :: 24.460 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 :: 8.450 HA :: 4.184 HB2 :: 1.513 HB3 :: 1.726 HG :: 1.717 HD11 :: 0.789 HD12 :: 0.789 HD13 :: 0.789 HD21 :: 0.753 HD22 :: 0.753 HD23 :: 0.753 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 :: 118.840 Ave N Shift Values>> N :: 121.86(3.9) 1.W65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.19 T 0.14 V 0.14 S 0.12 F 0.1 W 0.08 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 P 0.01 M 0.01 HN Overlap>> 1.W107 1.W107 C Shift Assignments>> C :: 179.285 CA :: 60.415 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 :: 8.300 HA :: 4.307 HE1 :: 10.027 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 :: 121.413 NE1 :: 129.071 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.3 I 0.05 C Shift Assignments>> C :: 179.553 CA :: 55.606 CB :: 17.979 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.139 HA :: 3.891 HB1 :: 1.449 HB2 :: 1.449 HB3 :: 1.449 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.739 Ave N Shift Values>> N :: 123.23(3.54) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 K 0.24 R 0.16 G 0.02 C Shift Assignments>> C :: 178.859 CA :: 58.280 CB :: 42.381 CG :: 27.055 CD1 :: 26.117 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 :: 8.444 HA :: 3.703 HB2 :: 1.400 HB3 :: 1.774 HG :: 1.647 HD11 :: 0.684 HD12 :: 0.684 HD13 :: 0.684 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 :: 117.641 Ave N Shift Values>> N :: 121.86(3.9) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.653 CA :: 61.927 CB :: 62.991 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.651 HA :: 3.884 HB2 :: 3.871 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 :: 115.069 Ave N Shift Values>> N :: 116.28(3.52) 1.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 D 0.18 N 0.15 L 0.1 I 0.09 E 0.03 M 0.01 C Shift Assignments>> C :: 178.318 CA :: 56.525 CB :: 38.917 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 :: 7.743 HA :: 4.181 HB2 :: 2.440 HB3 :: 2.390 HD21 :: 6.756 HD22 :: 7.347 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 :: 119.494 ND2 :: 111.915 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 2.A77 2.A77 C Shift Assignments>> C :: 177.595 CA :: 65.023 CB :: 37.470 CG1 :: 29.858 CG2 :: 17.581 CD1 :: 12.870 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 :: 7.981 HA :: 3.587 HB :: 2.359 HG12 :: 1.959 HG21 :: 0.704 HG22 :: 0.704 HG23 :: 0.704 HD11 :: 0.754 HD12 :: 0.754 HD13 :: 0.754 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 :: 121.403 Ave N Shift Values>> N :: 121.46(4.28) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.41 I 0.01 C Shift Assignments>> C :: 176.195 CA :: 53.782 CB :: 17.730 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.096 HA :: 3.756 HB1 :: 1.280 HB2 :: 1.280 HB3 :: 1.280 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.519 Ave N Shift Values>> N :: 123.23(3.54) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.S22 2.S22 C Shift Assignments>> C :: 175.146 CA :: 59.366 CB :: 63.669 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.330 HA :: 4.293 HB2 :: 3.972 HB3 :: 3.854 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 :: 110.449 Ave N Shift Values>> N :: 116.28(3.52) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.08 C Shift Assignments>> C :: 173.672 CA :: 45.666 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.797 HA2 :: 4.126 HA3 :: 3.702 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.664 Ave N Shift Values>> N :: 109.67(3.87) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.26 R 0.15 F 0.03 D 0.02 C Shift Assignments>> CA :: 44.427 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.584 HA2 :: 4.440 HA3 :: 3.920 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.348 Ave N Shift Values>> N :: 109.67(3.87) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 I 0.17 D 0.12 L 0.08 N 0.06 E 0.02 M 0.01 C Shift Assignments>> C :: 177.466 CA :: 57.440 CB :: 39.024 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 :: 4.248 HB2 :: 2.803 HB3 :: 2.710 HD21 :: 6.898 HD22 :: 7.720 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 :: 112.815 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 E 0.41 K 0.06 Q 0.01 C Shift Assignments>> C :: 179.055 CA :: 59.780 CB :: 28.816 CG :: 36.811 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 :: 9.087 HA :: 3.997 HB2 :: 1.950 HG2 :: 2.265 HG3 :: 2.279 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 :: 119.819 Ave N Shift Values>> N :: 120.67(3.48) 1.Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 E 0.27 Q 0.15 K 0.12 R 0.04 C Shift Assignments>> C :: 177.741 CA :: 59.738 CB :: 27.380 CG :: 35.388 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 :: 7.822 HA :: 3.915 HB3 :: 1.973 HG2 :: 2.358 HG3 :: 2.220 HE21 :: 6.739 HE22 :: 7.527 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 :: 120.996 NE2 :: 110.801 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.019 CA :: 66.069 CG1 :: 30.545 CG2 :: 18.548 CD1 :: 14.036 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 :: 8.024 HA :: 3.329 HG12 :: 1.872 HG13 :: 0.841 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 HD11 :: 0.834 HD12 :: 0.834 HD13 :: 0.834 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 :: 119.654 Ave N Shift Values>> N :: 121.46(4.28) 1.Q79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.34 R 0.13 E 0.07 I 0.03 M 0.02 HN Overlap>> 2.E79 2.E79 C Shift Assignments>> C :: 177.377 CA :: 58.262 CB :: 28.088 CG :: 33.810 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 :: 8.015 HA :: 3.681 HB2 :: 1.984 HB3 :: 2.090 HG2 :: 2.280 HG3 :: 2.415 HE21 :: 6.671 HE22 :: 7.794 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 :: 118.298 NE2 :: 115.090 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.33 I 0.03 HN Overlap>> 2.A7 2.A7 C Shift Assignments>> C :: 180.540 CA :: 55.141 CB :: 17.666 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.489 HA :: 4.120 HB1 :: 1.412 HB2 :: 1.412 HB3 :: 1.412 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.336 Ave N Shift Values>> N :: 123.23(3.54) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.E104 2.V8 2.E31 1.E104 2.V8 2.E31 C Shift Assignments>> C :: 177.498 CA :: 66.866 CG1 :: 21.958 CG2 :: 23.319 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 :: 7.682 HA :: 3.431 HG11 :: 0.914 HG12 :: 0.914 HG13 :: 0.914 HG21 :: 0.931 HG22 :: 0.931 HG23 :: 0.931 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 :: 118.691 Ave N Shift Values>> N :: 121.14(4.54) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 181.279 CA :: 65.907 CB :: 37.918 CG1 :: 29.049 CG2 :: 16.381 CD1 :: 13.877 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 :: 8.051 HA :: 3.563 HB :: 1.917 HG12 :: 1.435 HG13 :: 1.649 HG21 :: 0.866 HG22 :: 0.866 HG23 :: 0.866 HD11 :: 0.723 HD12 :: 0.723 HD13 :: 0.723 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 :: 120.873 Ave N Shift Values>> N :: 121.46(4.28) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 D 0.19 L 0.17 I 0.09 N 0.05 K 0.03 C Shift Assignments>> C :: 177.098 CA :: 57.200 CB :: 40.010 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 :: 9.171 HA :: 4.332 HB2 :: 2.657 HB3 :: 2.702 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 :: 123.492 Ave N Shift Values>> N :: 120.65(3.86) 1.A84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 HN Overlap>> 1.L51 2.A11 1.L51 2.A11 C Shift Assignments>> C :: 176.741 CA :: 52.263 CB :: 19.274 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.428 HA :: 4.274 HB1 :: 1.317 HB2 :: 1.317 HB3 :: 1.317 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.283 Ave N Shift Values>> N :: 123.23(3.54) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.08 C Shift Assignments>> C :: 176.290 CA :: 45.660 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.933 HA2 :: 4.143 HA3 :: 3.861 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.097 Ave N Shift Values>> N :: 109.67(3.87) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 L 0.14 M 0.1 V 0.03 T 0.01 HN Overlap>> 1.A44 1.A44 C Shift Assignments>> C :: 178.659 CA :: 54.825 CB :: 20.507 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.248 HA :: 3.837 HB1 :: 1.073 HB2 :: 1.073 HB3 :: 1.073 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.191 Ave N Shift Values>> N :: 123.23(3.54) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 K 0.01 C Shift Assignments>> CA :: 60.329 CB :: 38.873 CG :: 27.126 CD2 :: 27.039 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 :: 9.217 HA :: 3.983 HB2 :: 0.932 HB3 :: 2.067 HG :: 1.742 HD21 :: 0.763 HD22 :: 0.763 HD23 :: 0.763 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 :: 113.388 Ave N Shift Values>> N :: 121.86(3.9) 1.P88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 C Shift Assignments>> C :: 178.861 CA :: 66.209 CB :: 30.743 CG :: 28.620 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 :: 4.170 HB2 :: 1.843 HB3 :: 2.320 HG2 :: 2.054 HG3 :: 1.845 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.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.26 L 0.01 I 0.01 C Shift Assignments>> C :: 179.839 CA :: 54.576 CB :: 19.335 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.532 HA :: 4.072 HB1 :: 1.330 HB2 :: 1.330 HB3 :: 1.330 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.555 Ave N Shift Values>> N :: 123.23(3.54) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.1 G 0.02 HN Overlap>> 2.A40 2.L78 2.A40 2.L78 C Shift Assignments>> C :: 178.502 CA :: 57.976 CB :: 42.310 CG :: 26.580 CD1 :: 25.626 CD2 :: 25.645 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 :: 8.166 HA :: 3.920 HB2 :: 1.175 HB3 :: 1.973 HG :: 1.693 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 HD21 :: 0.564 HD22 :: 0.564 HD23 :: 0.564 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 :: 118.392 Ave N Shift Values>> N :: 121.86(3.9) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.812 CA :: 66.794 CB :: 31.034 CG1 :: 23.858 CG2 :: 23.846 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 :: 8.184 HA :: 3.261 HB :: 2.016 HG11 :: 0.772 HG12 :: 0.772 HG13 :: 0.772 HG21 :: 0.695 HG22 :: 0.695 HG23 :: 0.695 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 :: 116.350 Ave N Shift Values>> N :: 121.14(4.54) 1.Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.33 R 0.11 E 0.09 I 0.04 M 0.01 C Shift Assignments>> C :: 178.771 CA :: 58.768 CB :: 28.089 CG :: 33.963 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 :: 7.661 HA :: 3.964 HB2 :: 2.111 HB3 :: 2.129 HG2 :: 2.391 HG3 :: 2.406 HE21 :: 6.702 HE22 :: 7.315 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 :: 120.149 NE2 :: 111.807 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 K 0.14 A 0.03 C Shift Assignments>> C :: 177.682 CA :: 56.610 CB :: 41.278 CG :: 27.418 CD2 :: 22.577 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 :: 7.420 HA :: 4.043 HB2 :: 1.321 HB3 :: 1.990 HG :: 1.651 HD21 :: 0.924 HD22 :: 0.924 HD23 :: 0.924 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 :: 118.742 Ave N Shift Values>> N :: 121.86(3.9) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 A 0.09 C Shift Assignments>> C :: 176.496 CA :: 56.030 CB :: 40.178 CG :: 26.069 CD1 :: 22.629 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 :: 7.435 HA :: 4.204 HB2 :: 1.933 HB3 :: 1.427 HG :: 2.040 HD11 :: 0.652 HD12 :: 0.652 HD13 :: 0.652 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 :: 116.258 Ave N Shift Values>> N :: 121.86(3.9) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.281 CA :: 57.554 CB :: 63.762 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.288 HA :: 4.530 HB2 :: 3.913 HB3 :: 3.948 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 :: 110.771 Ave N Shift Values>> N :: 116.28(3.52) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.800 CB :: 64.905 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.442 HA :: 4.424 HB2 :: 4.072 HB3 :: 4.081 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 :: 118.412 Ave N Shift Values>> N :: 116.28(3.52) 1.P97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.399 CA :: 63.124 CB :: 31.810 CG :: 26.722 CD :: 50.717 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 :: 4.345 HB2 :: 1.973 HB3 :: 2.219 HG2 :: 1.989 HG3 :: 1.907 HD2 :: 3.781 HD3 :: 3.799 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.N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 D 0.17 F 0.06 L 0.04 HN Overlap>> 1.N56 1.N56 C Shift Assignments>> C :: 175.066 CA :: 52.456 CB :: 38.662 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 :: 8.184 HA :: 4.604 HB2 :: 2.567 HB3 :: 2.963 HD21 :: 7.044 HD22 :: 7.664 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 :: 120.061 ND2 :: 113.506 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 E 0.46 K 0.02 M 0.02 HN Overlap>> 2.E26 2.E26 C Shift Assignments>> C :: 177.831 CA :: 59.785 CB :: 29.876 CG :: 37.387 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 :: 8.826 HA :: 3.850 HB2 :: 1.967 HB3 :: 1.946 HG2 :: 2.338 HG3 :: 2.122 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 :: 125.999 Ave N Shift Values>> N :: 120.67(3.48) 1.Q100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.3 E 0.15 I 0.1 R 0.07 C Shift Assignments>> C :: 178.500 CA :: 59.257 CB :: 28.108 CG :: 34.394 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 :: 8.074 HA :: 4.052 HB2 :: 2.071 HB3 :: 2.119 HG2 :: 2.335 HG3 :: 2.360 HE21 :: 6.710 HE22 :: 7.621 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 :: 119.108 NE2 :: 112.192 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.899 CA :: 64.053 CB :: 37.103 CG1 :: 29.050 CG2 :: 18.017 CD1 :: 12.193 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 :: 7.169 HA :: 3.468 HB :: 2.003 HG13 :: 0.918 HG21 :: 0.859 HG22 :: 0.859 HG23 :: 0.859 HD11 :: 0.784 HD12 :: 0.784 HD13 :: 0.784 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 :: 121.213 Ave N Shift Values>> N :: 121.46(4.28) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 L 0.37 G 0.14 C Shift Assignments>> C :: 178.805 CA :: 59.066 CB :: 43.313 CG :: 28.009 CD1 :: 24.733 CD2 :: 26.219 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 :: 8.045 HA :: 3.891 HB2 :: 1.479 HB3 :: 1.785 HG :: 1.745 HD11 :: 0.894 HD12 :: 0.894 HD13 :: 0.894 HD21 :: 0.934 HD22 :: 0.934 HD23 :: 0.934 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 :: 120.515 Ave N Shift Values>> N :: 121.86(3.9) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 Q 0.28 E 0.23 I 0.12 R 0.03 M 0.01 HN Overlap>> 1.Q61 1.D41 1.Q61 1.D41 C Shift Assignments>> C :: 177.670 CA :: 59.763 CB :: 28.827 CG :: 34.631 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 :: 7.970 HA :: 3.544 HB2 :: 1.853 HB3 :: 1.922 HG2 :: 1.836 HG3 :: 1.936 HE21 :: 6.444 HE22 :: 7.139 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 :: 115.716 NE2 :: 110.271 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.18 K 0.14 Q 0.09 M 0.03 HN Overlap>> 1.V81 1.E62 1.V81 1.E62 2.V8 2.E31 2.V8 2.E31 C Shift Assignments>> C :: 179.213 CA :: 58.996 CB :: 29.456 CG :: 35.990 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 :: 7.611 HA :: 4.116 HB2 :: 1.998 HB3 :: 2.056 HG2 :: 2.298 HG3 :: 2.356 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 :: 118.694 Ave N Shift Values>> N :: 120.67(3.48) 1.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.05 HN Overlap>> 2.A32 2.A32 C Shift Assignments>> C :: 179.055 CA :: 55.513 CB :: 18.333 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.694 HA :: 3.956 HB1 :: 1.377 HB2 :: 1.377 HB3 :: 1.377 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.471 Ave N Shift Values>> N :: 123.23(3.54) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 R 0.31 K 0.17 I 0.11 HN Overlap>> 1.L64 2.L33 1.L64 2.L33 C Shift Assignments>> C :: 178.843 CA :: 58.099 CB :: 41.999 CG :: 26.958 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 :: 8.351 HA :: 3.838 HB2 :: 1.622 HG :: 1.523 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 :: 118.884 Ave N Shift Values>> N :: 121.86(3.9) 1.W107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 W 0.19 K 0.13 E 0.12 Q 0.09 H 0.09 R 0.07 V 0.02 M 0.01 HN Overlap>> 1.W65 1.W65 C Shift Assignments>> C :: 178.806 CA :: 59.919 CB :: 28.786 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 :: 8.381 HA :: 4.406 HB2 :: 3.270 HB3 :: 3.394 HE1 :: 10.001 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 :: 121.423 NE1 :: 128.855 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.25 I 0.05 HN Overlap>> 2.A35 2.A35 C Shift Assignments>> C :: 179.683 CA :: 55.576 CB :: 17.600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.120 HA :: 3.942 HB1 :: 1.362 HB2 :: 1.362 HB3 :: 1.362 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.259 Ave N Shift Values>> N :: 123.23(3.54) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 K 0.3 R 0.04 G 0.02 HN Overlap>> 2.L36 2.L36 C Shift Assignments>> C :: 178.478 CA :: 58.334 CB :: 42.421 CG :: 26.967 CD2 :: 24.879 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 :: 8.305 HA :: 3.678 HB2 :: 1.761 HB3 :: 1.411 HG :: 1.626 HD21 :: 0.703 HD22 :: 0.703 HD23 :: 0.703 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 :: 117.266 Ave N Shift Values>> N :: 121.86(3.9) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.906 CA :: 61.886 CB :: 62.979 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.644 HA :: 3.851 HB2 :: 4.078 HB3 :: 3.841 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 :: 114.672 Ave N Shift Values>> N :: 116.28(3.52) 1.N111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 N 0.24 E 0.12 D 0.12 I 0.07 L 0.05 M 0.04 C Shift Assignments>> C :: 177.550 CA :: 56.082 CB :: 38.144 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 :: 7.871 HA :: 4.183 HB2 :: 2.383 HB3 :: 2.485 HD21 :: 6.782 HD22 :: 6.782 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 :: 119.625 ND2 :: 110.655 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 2.Q4 2.Q4 C Shift Assignments>> C :: 176.110 CA :: 64.820 CB :: 37.984 CG1 :: 29.694 CG2 :: 17.052 CD1 :: 13.490 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 :: 7.786 HA :: 3.577 HB :: 1.766 HG12 :: 1.443 HG21 :: 0.650 HG22 :: 0.650 HG23 :: 0.650 HD11 :: 0.499 HD12 :: 0.499 HD13 :: 0.499 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 :: 120.153 Ave N Shift Values>> N :: 121.46(4.28) 1.A113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.24 HN Overlap>> 2.I5 2.I5 C Shift Assignments>> C :: 176.623 CA :: 53.051 CB :: 18.214 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.815 HA :: 3.860 HB1 :: 1.202 HB2 :: 1.202 HB3 :: 1.202 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.382 Ave N Shift Values>> N :: 123.23(3.54) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.S64 2.S64 C Shift Assignments>> C :: 174.610 CA :: 58.883 CB :: 64.369 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.410 HA :: 4.253 HB2 :: 3.730 HB3 :: 3.871 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 :: 110.726 Ave N Shift Values>> N :: 116.28(3.52) 1.G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 L 0.05 C Shift Assignments>> CA :: 46.724 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.673 HA2 :: 3.594 HA3 :: 3.700 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.061 Ave N Shift Values>> N :: 109.67(3.87) 2.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 E 0.21 K 0.02 HN Overlap>> 1.I112 1.I112 C Shift Assignments>> CA :: 60.010 CB :: 27.322 CG :: 36.837 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 :: 7.771 HA :: 3.983 HB2 :: 1.916 HB3 :: 1.916 HG2 :: 2.292 HG3 :: 2.292 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 :: 120.089 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.A113 1.A113 C Shift Assignments>> CA :: 65.849 CB :: 37.956 CG1 :: 29.819 CG2 :: 19.488 CD1 :: 13.381 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 :: 7.724 HA :: 3.351 HB :: 1.813 HG12 :: 0.863 HG13 :: 0.840 HG21 :: 0.903 HG22 :: 0.903 HG23 :: 0.903 HD11 :: 0.806 HD12 :: 0.806 HD13 :: 0.806 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 :: 118.367 Ave N Shift Values>> N :: 121.46(4.28) 2.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.31 R 0.28 M 0.03 E 0.01 I 0.01 C Shift Assignments>> CA :: 58.073 CB :: 27.635 CG :: 33.020 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 :: 8.306 HA :: 3.898 HB2 :: 2.026 HB3 :: 1.965 HG2 :: 1.826 HG3 :: 1.955 HE21 :: 6.994 HE22 :: 6.455 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 :: 118.582 NE2 :: 109.442 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.31 I 0.04 HN Overlap>> 1.A80 1.A80 C Shift Assignments>> CA :: 55.250 CB :: 17.623 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.527 HA :: 4.124 HB1 :: 1.438 HB2 :: 1.438 HB3 :: 1.438 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.431 Ave N Shift Values>> N :: 123.23(3.54) 2.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V81 1.E104 1.V81 1.E104 C Shift Assignments>> CA :: 67.239 CB :: 31.191 CG1 :: 21.620 CG2 :: 23.199 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 :: 7.646 HA :: 3.343 HB :: 2.309 HG11 :: 0.707 HG12 :: 0.707 HG13 :: 0.707 HG21 :: 0.927 HG22 :: 0.927 HG23 :: 0.927 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) 2.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L60 1.I36 1.L60 1.I36 C Shift Assignments>> CA :: 65.354 CB :: 37.895 CG2 :: 16.386 CD1 :: 14.112 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 :: 7.900 HA :: 3.498 HB :: 1.968 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 HD11 :: 0.757 HD12 :: 0.757 HD13 :: 0.757 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 :: 120.145 Ave N Shift Values>> N :: 121.46(4.28) 2.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 D 0.18 L 0.16 I 0.1 N 0.05 K 0.02 C Shift Assignments>> CA :: 57.175 CB :: 39.869 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 :: 9.325 HA :: 4.345 HB2 :: 2.661 HB3 :: 2.729 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 :: 123.273 Ave N Shift Values>> N :: 120.65(3.86) 2.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.09 HN Overlap>> 1.A84 1.L51 1.A84 1.L51 C Shift Assignments>> CA :: 52.241 CB :: 19.199 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.386 HA :: 4.286 HB1 :: 1.309 HB2 :: 1.309 HB3 :: 1.309 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.321 Ave N Shift Values>> N :: 123.23(3.54) 2.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> CA :: 45.453 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.989 HA2 :: 3.911 HA3 :: 4.167 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.860 Ave N Shift Values>> N :: 109.67(3.87) 2.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 L 0.13 M 0.13 V 0.04 T 0.01 C Shift Assignments>> CA :: 55.107 CB :: 20.409 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.992 HA :: 3.728 HB1 :: 1.086 HB2 :: 1.086 HB3 :: 1.086 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.928 Ave N Shift Values>> N :: 123.23(3.54) 2.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 L 0.18 C Shift Assignments>> CA :: 60.234 CB :: 38.495 CG :: 29.700 CD2 :: 25.840 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 :: 9.301 HA :: 3.964 HB2 :: 2.125 HB3 :: 2.084 HG :: 1.353 HD21 :: 0.713 HD22 :: 0.713 HD23 :: 0.713 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 :: 112.835 Ave N Shift Values>> N :: 121.86(3.9) 2.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 G 0.01 C Shift Assignments>> CA :: 65.983 CB :: 30.704 CG :: 28.099 CD :: 49.314 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 :: 4.235 HB2 :: 1.817 HB3 :: 2.288 HG2 :: 2.141 HD2 :: 3.692 HD3 :: 3.501 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) 2.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.25 L 0.01 I 0.01 C Shift Assignments>> C :: 179.823 CA :: 54.496 CB :: 19.310 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.557 HA :: 4.067 HB1 :: 1.333 HB2 :: 1.333 HB3 :: 1.333 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.116 Ave N Shift Values>> N :: 123.23(3.54) 2.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 K 0.31 R 0.05 G 0.01 C Shift Assignments>> C :: 178.348 CA :: 58.187 CB :: 42.213 CG :: 26.930 CD2 :: 25.209 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 :: 8.196 HA :: 3.729 HB2 :: 1.636 HB3 :: 1.538 HG :: 1.597 HD21 :: 0.782 HD22 :: 0.782 HD23 :: 0.782 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 :: 117.860 Ave N Shift Values>> N :: 121.86(3.9) 2.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.456 CA :: 67.013 CB :: 31.207 CG1 :: 23.730 CG2 :: 21.630 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 :: 8.308 HA :: 3.315 HB :: 2.011 HG11 :: 0.789 HG12 :: 0.789 HG13 :: 0.789 HG21 :: 0.750 HG22 :: 0.750 HG23 :: 0.750 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 :: 115.968 Ave N Shift Values>> N :: 121.14(4.54) 2.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.34 R 0.14 E 0.06 I 0.04 M 0.02 C Shift Assignments>> C :: 179.109 CA :: 58.882 CB :: 28.015 CG :: 33.751 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 :: 7.650 HA :: 3.976 HB2 :: 2.132 HB3 :: 2.104 HG2 :: 2.357 HG3 :: 2.396 HE21 :: 7.331 HE22 :: 6.741 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 :: 119.382 NE2 :: 111.555 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 K 0.17 A 0.04 HN Overlap>> 2.V50 2.V50 C Shift Assignments>> C :: 177.605 CA :: 56.578 CB :: 41.334 CG :: 27.395 CD1 :: 22.507 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 :: 7.526 HA :: 4.036 HB2 :: 1.304 HB3 :: 1.982 HG :: 0.942 HD11 :: 0.931 HD12 :: 0.931 HD13 :: 0.931 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 :: 119.052 Ave N Shift Values>> N :: 121.86(3.9) 2.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 A 0.21 C Shift Assignments>> C :: 176.560 CA :: 56.059 CB :: 40.460 CG :: 25.926 CD1 :: 22.013 CD2 :: 22.075 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 :: 7.384 HA :: 4.174 HB2 :: 1.410 HB3 :: 1.965 HG :: 2.010 HD11 :: 0.608 HD12 :: 0.608 HD13 :: 0.608 HD21 :: 0.604 HD22 :: 0.604 HD23 :: 0.604 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 :: 116.122 Ave N Shift Values>> N :: 121.86(3.9) 2.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S72 1.S72 C Shift Assignments>> C :: 174.084 CA :: 57.553 CB :: 63.662 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.325 HA :: 4.639 HB2 :: 3.848 HB3 :: 3.995 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 :: 110.496 Ave N Shift Values>> N :: 116.28(3.52) 2.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.863 CB :: 64.917 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.464 HA :: 4.445 HB2 :: 4.088 HB3 :: 3.671 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 :: 117.773 Ave N Shift Values>> N :: 116.28(3.52) 2.P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.263 CB :: 31.874 CG :: 26.719 CD :: 50.918 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 :: 4.529 HB2 :: 2.247 HB3 :: 2.247 HG2 :: 1.959 HG3 :: 2.002 HD2 :: 3.889 HD3 :: 3.796 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) 2.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 D 0.17 F 0.06 L 0.03 C Shift Assignments>> C :: 175.085 CA :: 52.435 CB :: 38.611 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 :: 8.224 HA :: 4.638 HB2 :: 2.609 HB3 :: 2.961 HD21 :: 7.719 HD22 :: 7.053 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 :: 119.885 ND2 :: 113.509 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 Q 0.34 R 0.11 E 0.07 I 0.06 P 0.01 M 0.01 HN Overlap>> 1.E99 1.E99 C Shift Assignments>> C :: 177.837 CA :: 59.723 CB :: 28.195 CG :: 33.777 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 :: 8.908 HA :: 3.829 HB2 :: 1.993 HB3 :: 1.953 HG2 :: 2.163 HG3 :: 2.444 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 :: 125.937 Ave N Shift Values>> N :: 120.67(3.48) 2.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.28 E 0.17 I 0.11 R 0.07 HN Overlap>> 2.E76 2.K47 2.E76 2.K47 C Shift Assignments>> C :: 178.488 CA :: 59.265 CB :: 28.013 CG :: 34.484 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 :: 8.120 HA :: 4.011 HB2 :: 2.124 HB3 :: 2.038 HG2 :: 2.327 HG3 :: 2.378 HE21 :: 6.774 HE22 :: 7.605 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 :: 118.940 NE2 :: 112.141 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.835 CA :: 64.394 CB :: 37.090 CG1 :: 29.240 CG2 :: 18.064 CD1 :: 12.446 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 :: 7.234 HA :: 3.429 HB :: 2.004 HG12 :: 1.462 HG13 :: 0.859 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 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 :: 121.110 Ave N Shift Values>> N :: 121.46(4.28) 2.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 L 0.38 G 0.11 C Shift Assignments>> C :: 178.860 CA :: 59.228 CB :: 43.172 CG :: 28.199 CD1 :: 26.139 CD2 :: 24.681 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 :: 8.090 HA :: 3.868 HB2 :: 1.785 HB3 :: 1.458 HG :: 1.682 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 HD21 :: 0.781 HD22 :: 0.781 HD23 :: 0.781 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 :: 120.255 Ave N Shift Values>> N :: 121.86(3.9) 2.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 K 0.24 Q 0.21 I 0.15 M 0.02 R 0.01 C Shift Assignments>> C :: 177.635 CA :: 59.733 CB :: 29.097 CG :: 35.054 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 :: 7.844 HA :: 3.511 HB2 :: 1.789 HB3 :: 1.864 HG2 :: 1.871 HG3 :: 1.986 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 :: 115.142 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.17 K 0.16 Q 0.1 M 0.02 HN Overlap>> 1.V81 1.E62 1.E104 1.V81 1.E62 1.E104 C Shift Assignments>> C :: 179.458 CA :: 58.773 CB :: 29.190 CG :: 35.939 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 :: 7.653 HA :: 3.893 HB2 :: 2.023 HB3 :: 2.061 HG2 :: 2.369 HG3 :: 2.337 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 :: 118.768 Ave N Shift Values>> N :: 120.67(3.48) 2.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.35 I 0.04 HN Overlap>> 1.A105 1.A105 C Shift Assignments>> C :: 178.918 CA :: 55.439 CB :: 18.125 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.736 HA :: 3.935 HB1 :: 1.361 HB2 :: 1.361 HB3 :: 1.361 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.428 Ave N Shift Values>> N :: 123.23(3.54) 2.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.13 G 0.01 HN Overlap>> 1.L106 1.Q35 1.L106 1.Q35 C Shift Assignments>> C :: 178.604 CA :: 58.398 CB :: 41.999 CG :: 26.819 CD1 :: 26.145 CD2 :: 25.264 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 :: 8.305 HA :: 3.744 HB2 :: 1.650 HB3 :: 1.528 HG :: 1.761 HD11 :: 0.655 HD12 :: 0.655 HD13 :: 0.655 HD21 :: 0.659 HD22 :: 0.659 HD23 :: 0.659 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 :: 118.962 Ave N Shift Values>> N :: 121.86(3.9) 2.W34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 W 0.18 K 0.13 E 0.12 Q 0.1 H 0.09 R 0.07 V 0.01 M 0.01 L 0.01 C Shift Assignments>> C :: 178.713 CA :: 59.810 CB :: 28.646 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 :: 8.261 HA :: 4.323 HB2 :: 3.287 HB3 :: 3.315 HE1 :: 10.029 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 :: 120.858 NE1 :: 128.550 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.24 I 0.06 HN Overlap>> 1.A108 1.A108 C Shift Assignments>> C :: 180.491 CA :: 55.689 CB :: 17.676 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.225 HA :: 3.928 HB1 :: 1.374 HB2 :: 1.374 HB3 :: 1.374 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.268 Ave N Shift Values>> N :: 123.23(3.54) 2.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 R 0.18 G 0.02 HN Overlap>> 1.L109 1.L109 C Shift Assignments>> C :: 178.468 CA :: 58.471 CB :: 42.212 CG :: 27.044 CD1 :: 26.142 CD2 :: 25.053 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 :: 8.358 HA :: 3.747 HB2 :: 1.633 HB3 :: 1.633 HG :: 1.349 HD11 :: 0.665 HD12 :: 0.665 HD13 :: 0.665 HD21 :: 0.709 HD22 :: 0.709 HD23 :: 0.709 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 :: 117.251 Ave N Shift Values>> N :: 121.86(3.9) 2.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.970 CA :: 61.524 CB :: 63.261 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.612 HA :: 3.804 HB2 :: 3.854 HB3 :: 3.889 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 :: 114.384 Ave N Shift Values>> N :: 116.28(3.52) 2.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 N 0.18 E 0.18 I 0.09 D 0.08 M 0.05 L 0.04 HN Overlap>> 1.V39 2.K51 1.V39 2.K51 C Shift Assignments>> C :: 178.479 CA :: 56.396 CB :: 37.935 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 :: 7.911 HA :: 4.230 HB2 :: 2.428 HB3 :: 2.492 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 :: 118.649 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.040 CA :: 65.361 CB :: 37.766 CG1 :: 29.111 CG2 :: 17.342 CD1 :: 13.414 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 :: 7.954 HA :: 3.586 HB :: 1.750 HG12 :: 0.860 HG13 :: 0.860 HG21 :: 0.641 HG22 :: 0.641 HG23 :: 0.641 HD11 :: 0.484 HD12 :: 0.484 HD13 :: 0.484 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 :: 121.866 Ave N Shift Values>> N :: 121.46(4.28) 2.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.28 HN Overlap>> 1.L90 1.L90 C Shift Assignments>> C :: 176.320 CA :: 53.649 CB :: 18.421 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.175 HA :: 3.720 HB1 :: 1.354 HB2 :: 1.354 HB3 :: 1.354 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.441 Ave N Shift Values>> N :: 123.23(3.54) 2.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.748 CA :: 59.805 CB :: 63.706 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.252 HA :: 4.347 HB2 :: 4.033 HB3 :: 3.977 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 :: 111.306 Ave N Shift Values>> N :: 116.28(3.52) 2.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> CA :: 45.441 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.852 HA2 :: 3.675 HA3 :: 4.150 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.201 Ave N Shift Values>> N :: 109.67(3.87) 2.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.23 R 0.11 F 0.02 D 0.02 C Shift Assignments>> CA :: 44.573 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.598 HA2 :: 4.109 HA3 :: 4.234 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.418 Ave N Shift Values>> N :: 109.67(3.87) 2.N44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 W 0.16 K 0.09 R 0.08 E 0.08 Q 0.07 H 0.06 P 0.04 L 0.01 V 0.01 C Shift Assignments>> C :: 176.686 CA :: 60.401 CB :: 28.234 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 :: 7.478 HA :: 3.880 HB2 :: 2.304 HE21 :: 7.908 HE22 :: 6.568 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 :: 121.054 NE2 :: 110.280 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.33 G 0.03 HN Overlap>> 2.E76 2.E76 2.Q27 2.Q27 C Shift Assignments>> C :: 178.825 CA :: 60.700 CB :: 32.705 CG :: 25.711 CD :: 29.879 CE :: 42.425 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 :: 8.185 HA :: 3.615 HB2 :: 2.000 HB3 :: 1.808 HG2 :: 1.470 HG3 :: 1.327 HD2 :: 1.845 HD3 :: 1.687 HE2 :: 3.050 HE3 :: 2.796 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 :: 118.858 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 K 0.31 Q 0.29 M 0.03 I 0.01 E 0.01 C Shift Assignments>> C :: 177.727 CA :: 58.654 CB :: 27.602 CG :: 32.848 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 :: 8.116 HA :: 4.013 HB2 :: 2.082 HB3 :: 2.155 HG2 :: 2.347 HG3 :: 2.402 HE21 :: 6.760 HE22 :: 7.134 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 :: 117.387 NE2 :: 110.693 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.33 I 0.04 C Shift Assignments>> C :: 180.425 CA :: 55.195 CB :: 17.740 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.460 HA :: 4.082 HB1 :: 1.459 HB2 :: 1.459 HB3 :: 1.459 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.233 Ave N Shift Values>> N :: 123.23(3.54) 2.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 2.L20 2.L20 C Shift Assignments>> C :: 177.749 CA :: 67.197 CB :: 31.624 CG1 :: 23.611 CG2 :: 21.969 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 :: 7.537 HA :: 3.367 HB :: 2.396 HG11 :: 0.668 HG12 :: 0.668 HG13 :: 0.668 HG21 :: 0.931 HG22 :: 0.931 HG23 :: 0.931 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 :: 118.963 Ave N Shift Values>> N :: 121.14(4.54) 2.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 R 0.46 G 0.02 HN Overlap>> 2.N38 2.N38 C Shift Assignments>> C :: 181.038 CA :: 60.377 CB :: 31.877 CG :: 26.398 CD :: 29.496 CE :: 42.336 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 :: 7.847 HA :: 3.851 HB2 :: 1.959 HB3 :: 1.999 HG2 :: 1.198 HG3 :: 1.690 HD2 :: 1.694 HD3 :: 1.694 HE2 :: 2.830 HE3 :: 2.830 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 :: 118.593 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.27 K 0.09 Q 0.03 M 0.01 C Shift Assignments>> C :: 177.103 CA :: 58.762 CB :: 29.239 CG :: 36.637 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 :: 8.724 HA :: 4.036 HB2 :: 1.991 HB3 :: 2.064 HG2 :: 2.413 HG3 :: 2.253 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 :: 120.929 Ave N Shift Values>> N :: 120.67(3.48) 2.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.1 C Shift Assignments>> C :: 176.896 CA :: 52.187 CB :: 18.988 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.343 HA :: 4.332 HB1 :: 1.353 HB2 :: 1.353 HB3 :: 1.353 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.605 Ave N Shift Values>> N :: 123.23(3.54) 2.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 176.215 CA :: 45.478 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.714 HA2 :: 3.949 HA3 :: 4.253 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.547 Ave N Shift Values>> N :: 109.67(3.87) 2.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 L 0.16 M 0.1 V 0.03 T 0.01 C Shift Assignments>> C :: 178.562 CA :: 54.902 CB :: 20.560 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.099 HA :: 3.823 HB1 :: 1.063 HB2 :: 1.063 HB3 :: 1.063 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.680 Ave N Shift Values>> N :: 123.23(3.54) 2.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 R 0.01 C Shift Assignments>> C :: 178.565 CA :: 59.700 CB :: 40.546 CG :: 27.692 CD1 :: 24.245 CD2 :: 25.457 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 :: 8.816 HA :: 3.684 HB2 :: 1.699 HB3 :: 1.506 HG :: 1.606 HD11 :: 0.751 HD12 :: 0.751 HD13 :: 0.751 HD21 :: 0.862 HD22 :: 0.862 HD23 :: 0.862 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 :: 115.731 Ave N Shift Values>> N :: 121.86(3.9) 2.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.37 K 0.08 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.260 CA :: 59.554 CB :: 29.127 CG :: 36.586 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 :: 8.173 HA :: 3.982 HB2 :: 1.869 HB3 :: 2.001 HG2 :: 2.254 HG3 :: 2.191 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 :: 116.588 Ave N Shift Values>> N :: 120.67(3.48) 2.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.38 G 0.01 C Shift Assignments>> C :: 179.074 CA :: 57.154 CB :: 32.640 CG :: 24.756 CD :: 27.900 CE :: 42.180 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 :: 6.740 HA :: 4.102 HB2 :: 1.640 HB3 :: 1.788 HG2 :: 1.443 HG3 :: 1.384 HD2 :: 1.522 HD3 :: 1.491 HE2 :: 2.947 HE3 :: 2.809 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 :: 115.481 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 K 0.06 G 0.01 C Shift Assignments>> C :: 179.022 CA :: 58.125 CB :: 41.821 CG :: 25.905 CD2 :: 23.625 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 :: 8.342 HA :: 3.890 HB2 :: 1.259 HB3 :: 1.964 HG :: 0.563 HD11 :: 0.716 HD12 :: 0.716 HD13 :: 0.716 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 :: 119.401 Ave N Shift Values>> N :: 121.86(3.9) 2.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.33 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 180.128 CA :: 59.176 CB :: 29.344 CG :: 36.766 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 :: 8.193 HA :: 4.034 HB2 :: 1.947 HB3 :: 2.041 HG2 :: 2.084 HG3 :: 2.327 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 :: 117.294 Ave N Shift Values>> N :: 120.67(3.48) 2.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.35 R 0.12 E 0.07 I 0.03 M 0.02 C Shift Assignments>> C :: 178.761 CA :: 58.387 CB :: 28.231 CG :: 33.803 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 :: 7.301 HA :: 4.087 HB2 :: 2.182 HB3 :: 2.073 HG2 :: 2.396 HG3 :: 2.547 HE21 :: 7.488 HE22 :: 6.895 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 :: 117.989 NE2 :: 111.076 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 G 0.02 A 0.01 R 0.01 C Shift Assignments>> C :: 177.521 CA :: 56.413 CB :: 42.455 CG :: 26.957 CD1 :: 23.467 CD2 :: 23.791 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 :: 7.819 HA :: 4.268 HB2 :: 1.329 HB3 :: 1.905 HG :: 1.923 HD11 :: 1.017 HD12 :: 1.017 HD13 :: 1.017 HD21 :: 0.741 HD22 :: 0.741 HD23 :: 0.741 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 :: 119.400 Ave N Shift Values>> N :: 121.86(3.9) 2.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 K 0.27 Q 0.26 I 0.07 M 0.02 R 0.01 C Shift Assignments>> C :: 175.674 CA :: 58.505 CB :: 29.046 CG :: 35.019 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 :: 7.424 HA :: 4.102 HB2 :: 2.161 HB3 :: 2.161 HG2 :: 2.544 HG3 :: 2.278 HE21 :: 7.118 HE22 :: 6.654 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 :: 115.861 NE2 :: 109.904 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S114 1.S114 C Shift Assignments>> C :: 173.976 CA :: 57.019 CB :: 63.605 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.496 HA :: 4.599 HB2 :: 3.832 HB3 :: 3.911 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 :: 110.699 Ave N Shift Values>> N :: 116.28(3.52) 2.H65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.19 W 0.16 K 0.14 R 0.12 M 0.09 H 0.09 E 0.09 Q 0.03 P 0.01 I 0.01 C Shift Assignments>> C :: 174.642 CA :: 59.671 CB :: 31.966 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 :: 7.525 HA :: 3.872 HB2 :: 2.782 HB3 :: 3.199 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 :: 124.870 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 I 0.16 K 0.1 Q 0.06 M 0.05 C Shift Assignments>> C :: 177.148 CA :: 58.817 CB :: 29.904 CG :: 36.273 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 :: 7.897 HA :: 3.918 HB2 :: 1.892 HB3 :: 1.967 HG2 :: 2.186 HG3 :: 2.148 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 :: 123.852 Ave N Shift Values>> N :: 120.67(3.48) 2.N67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.6 D 0.22 F 0.09 L 0.06 C Shift Assignments>> C :: 176.259 CA :: 53.227 CB :: 38.868 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 :: 11.490(S) HA :: 4.707 HB2 :: 2.928 HB3 :: 3.288 HD21 :: 8.007 HD22 :: 6.888 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 :: 124.219 ND2 :: 113.019 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.29 K 0.08 Q 0.03 M 0.02 C Shift Assignments>> C :: 177.940 CA :: 59.543 CB :: 29.535 CG :: 36.428 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 :: 8.965 HA :: 3.918 HB2 :: 2.045 HB3 :: 1.825 HG2 :: 2.353 HG3 :: 2.268 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 :: 127.530 Ave N Shift Values>> N :: 120.67(3.48) 2.K69 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.77 R 0.21 G 0.01 HN Overlap>> 1.Q37 1.Q37 C Shift Assignments>> C :: 179.215 CA :: 59.332 CB :: 32.029 CG :: 25.235 CD :: 29.103 CE :: 42.211 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 :: 8.159 HA :: 4.039 HB2 :: 1.821 HB3 :: 1.949 HG2 :: 1.360 HG3 :: 1.475 HD2 :: 2.951(S) HD3 :: 2.951(S) HE3 :: 2.783 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 :: 119.401 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HE3 > HD2 : 0.9989) (HE3 > HD3 : 0.9989) 2.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.039 CA :: 64.302 CB :: 36.560 CG1 :: 29.172 CG2 :: 17.242 CD1 :: 11.572 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 :: 7.124 HA :: 3.377 HB :: 1.730 HG12 :: 1.148 HG13 :: 0.685 HG21 :: 0.438 HG22 :: 0.438 HG23 :: 0.438 HD11 :: 0.430 HD12 :: 0.430 HD13 :: 0.430 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 :: 119.849 Ave N Shift Values>> N :: 121.46(4.28) 2.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 Q 0.35 R 0.08 E 0.07 I 0.04 M 0.02 HN Overlap>> 2.Q75 2.Q75 C Shift Assignments>> C :: 178.899 CA :: 59.566 CB :: 28.651 CG :: 33.681 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 :: 8.011 HA :: 3.974 HB2 :: 2.237 HB3 :: 1.932 HG2 :: 2.549 HG3 :: 2.372 HE21 :: 6.891 HE22 :: 7.740 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 :: 117.770 NE2 :: 112.624 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.17 G 0.01 C Shift Assignments>> C :: 179.237 CA :: 59.189 CB :: 32.517 CG :: 24.856 CD :: 29.074 CE :: 42.136 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 :: 7.699 HA :: 4.017 HB2 :: 1.895 HB3 :: 1.953 HG2 :: 1.427 HG3 :: 1.544 HD2 :: 1.654 HD3 :: 1.654 HE2 :: 2.949 HE3 :: 2.775 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 :: 117.299 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.26 K 0.09 Q 0.03 M 0.02 C Shift Assignments>> C :: 179.801 CA :: 58.805 CB :: 29.383 CG :: 36.674 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 :: 7.957 HA :: 4.044 HB2 :: 1.956 HB3 :: 2.023 HG2 :: 2.264 HG3 :: 2.417 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 :: 119.276 Ave N Shift Values>> N :: 120.67(3.48) 2.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.38 I 0.04 C Shift Assignments>> C :: 178.883 CA :: 55.457 CB :: 18.352 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.848 HA :: 3.954 HB1 :: 1.355 HB2 :: 1.355 HB3 :: 1.355 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.245 Ave N Shift Values>> N :: 123.23(3.54) 2.Q75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 E 0.46 K 0.03 M 0.01 HN Overlap>> 2.Q71 2.Q71 C Shift Assignments>> C :: 178.641 CA :: 59.370 CB :: 29.620 CG :: 37.523(S) 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 :: 8.071 HA :: 3.973 HB2 :: 2.140 HB3 :: 2.075 HG2 :: 2.303 HG3 :: 2.441 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 :: 117.860 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.31 K 0.08 Q 0.03 M 0.02 HN Overlap>> 2.K47 2.Q27 2.K47 2.Q27 C Shift Assignments>> C :: 179.089 CA :: 59.316 CB :: 29.407 CG :: 36.607 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 :: 8.121 HA :: 4.027 HB2 :: 2.061 HB3 :: 2.012 HG2 :: 2.329 HG3 :: 2.380 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 :: 118.887 Ave N Shift Values>> N :: 120.67(3.48) 2.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.32 I 0.04 HN Overlap>> 1.I70 1.I70 C Shift Assignments>> C :: 179.060 CA :: 55.375 CB :: 17.863 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.049 HA :: 3.921 HB1 :: 1.308 HB2 :: 1.308 HB3 :: 1.308 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.486 Ave N Shift Values>> N :: 123.23(3.54) 2.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.04 G 0.01 HN Overlap>> 1.L90 1.L90 C Shift Assignments>> C :: 179.058 CA :: 58.506 CB :: 41.961 CG :: 27.034 CD1 :: 24.871 CD2 :: 24.816 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 :: 8.192 HA :: 3.733 HB2 :: 1.658 HB3 :: 1.533 HG :: 1.636 HD11 :: 0.729 HD12 :: 0.729 HD13 :: 0.729 HD21 :: 0.730 HD22 :: 0.730 HD23 :: 0.730 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 :: 118.319 Ave N Shift Values>> N :: 121.86(3.9) 2.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.35 K 0.09 Q 0.03 M 0.01 HN Overlap>> 1.Q79 1.Q79 C Shift Assignments>> C :: 179.826 CA :: 59.465 CB :: 29.130 CG :: 36.528 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 :: 7.965 HA :: 3.986 HB2 :: 2.061 HB3 :: 2.130 HG3 :: 2.381 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 :: 118.382 Ave N Shift Values>> N :: 120.67(3.48) 2.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.24 G 0.01 C Shift Assignments>> C :: 178.776 CA :: 59.160 CB :: 32.665 CG :: 25.393 CD :: 29.813 CE :: 42.121 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 :: 7.682 HA :: 3.985 HB2 :: 1.735 HB3 :: 1.872 HG2 :: 1.391 HG3 :: 1.611 HD2 :: 1.490 HD3 :: 1.572 HE2 :: 2.785 HE3 :: 2.945 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 :: 118.218 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 R 0.18 G 0.04 C Shift Assignments>> C :: 177.019 CA :: 56.476 CB :: 42.797 CG :: 26.951 CD1 :: 23.855 CD2 :: 25.834 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 :: 7.740 HA :: 4.020 HB2 :: 1.796 HB3 :: 1.365 HG :: 1.939 HD11 :: 0.742 HD12 :: 0.742 HD13 :: 0.742 HD21 :: 0.597 HD22 :: 0.597 HD23 :: 0.597 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 :: 116.925 Ave N Shift Values>> N :: 121.86(3.9) 2.Q82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.34 E 0.12 M 0.08 R 0.03 C Shift Assignments>> CA :: 55.939 CB :: 29.455 CG :: 34.001 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 :: 7.622 HA :: 4.309 HB2 :: 1.938 HB3 :: 2.054 HG2 :: 2.377 HG3 :: 2.240 HE21 :: 6.685 HE22 :: 7.439 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 :: 115.762 NE2 :: 110.785 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.549 CB :: 64.029 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.345 HB2 :: 3.849 HB3 :: 3.779 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) 2.H84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 W 0.16 E 0.15 H 0.15 K 0.1 M 0.1 Q 0.09 V 0.02 C Shift Assignments>> CA :: 57.655 CB :: 31.040 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 :: 7.971 HA :: 4.405 HB2 :: 2.973 HB3 :: 3.102 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 :: 126.098 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) ########################################################################### Overall Results: #Consistent: 195 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 168 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 31 Shift Relative Order (SRO) Results: #Consistent: 198 #Suspicious: 1 C Shift Results: #Consistent: 631 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1078 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 185 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.Q58 NE2 = 118.829(S), Expected = 111.87, Std = 1.7200, ChiSquare = 5.2116e-05 2.N67 H = 11.490(S), Expected = 8.34, Std = 0.6300, ChiSquare = 5.7330e-07 2.K69 HD2 = 2.951(S), Expected = 1.61, Std = 0.2200, ChiSquare = 1.0913e-09 2.K69 HD3 = 2.951(S), Expected = 1.60, Std = 0.2200, ChiSquare = 8.2051e-10 2.K69 SRO Rule Break>> HE3 > HD2 : 0.998931243320271 2.K69 SRO Rule Break>> HE3 > HD3 : 0.998948106591865 2.Q75 CG = 37.523(S), Expected = 33.76, Std = 1.1100, ChiSquare = 6.9870e-04